REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2lgs_1_C DATA FIRST_RESID 1 DATA SEQUENCE SAEHVLTMLN EHEVKFVDLR FTDTKGKEQH VTIPAHQVNA EFFEEGKMFD DATA SEQUENCE GSSIGGWXXX XXXDMVLMPD ASTAVIDPFF ADSTLIIRCD ILEPGTLQGY DATA SEQUENCE DRDPRSIAKR AEDYLRATGI ADTVLFGPEP EFFLFDDIRF GASISGSHVA DATA SEQUENCE IDDIEGAWNS STKYEGGNKG HRPGVKGGYF PVPPVDSAQD IRSEMCLVME DATA SEQUENCE QMGLVVEAHH HEVATAGQNE VATRFNTMTK KADEIQIYKY VVHNVAHRFG DATA SEQUENCE KTATFMPKPM FGDNGSGMHC HMSLAKNGTN LFSGDKYAGL SEQALYYIGG DATA SEQUENCE VIKHAKAINA LANPTTNSYK RLVPXXXXPV MLAYSARNRS ASIRIPVVAS DATA SEQUENCE PKARRIEVRF PDPAANPYLC FAALLMAGLD GIKNKIHPGE PMDXXXXXXX DATA SEQUENCE XXXXXXIPQV AGSLEEALNA LDLDREFLKA GGVFTDEAID AYIALRREED DATA SEQUENCE DRVRMTPHPV EFELYYSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.469 174.600 -0.218 0.000 1.055 1 S CA 0.000 58.152 58.200 -0.081 0.000 1.107 1 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 2 A N 1.203 123.755 122.820 -0.447 0.000 1.892 2 A HA -0.139 4.182 4.320 0.001 0.000 0.218 2 A C 1.960 179.261 177.584 -0.471 0.000 1.188 2 A CA 2.620 54.095 52.037 -0.935 0.000 0.631 2 A CB -1.478 17.059 19.000 -0.772 0.000 0.822 2 A HN 1.009 nan 8.150 nan 0.000 0.447 3 E N -0.630 119.439 120.200 -0.218 0.000 2.108 3 E HA -0.262 4.088 4.350 0.001 0.000 0.203 3 E C 1.903 178.489 176.600 -0.024 0.000 1.022 3 E CA 1.880 58.231 56.400 -0.082 0.000 0.823 3 E CB -0.536 29.139 29.700 -0.043 0.000 0.744 3 E HN 0.828 nan 8.360 nan 0.000 0.456 4 H N -0.691 118.320 119.070 -0.098 0.000 2.326 4 H HA -0.070 4.487 4.556 0.001 0.000 0.301 4 H C 2.023 177.341 175.328 -0.016 0.000 1.081 4 H CA 1.729 57.749 56.048 -0.046 0.000 1.334 4 H CB 0.023 29.761 29.762 -0.041 0.000 1.385 4 H HN 0.098 nan 8.280 nan 0.000 0.504 5 V N 1.474 121.287 119.914 -0.169 0.000 2.287 5 V HA -0.275 3.845 4.120 0.001 0.000 0.248 5 V C 2.987 179.064 176.094 -0.029 0.000 1.053 5 V CA 1.681 63.917 62.300 -0.107 0.000 1.027 5 V CB -0.653 31.230 31.823 0.100 0.000 0.646 5 V HN 0.327 nan 8.190 nan 0.000 0.447 6 L N 0.465 121.683 121.223 -0.007 0.000 2.127 6 L HA -0.202 4.138 4.340 0.001 0.000 0.211 6 L C 2.759 179.634 176.870 0.009 0.000 1.089 6 L CA 2.135 56.998 54.840 0.039 0.000 0.757 6 L CB -0.822 41.260 42.059 0.038 0.000 0.899 6 L HN 0.656 nan 8.230 nan 0.000 0.434 7 T N -3.246 111.293 114.554 -0.026 0.000 2.809 7 T HA -0.176 4.175 4.350 0.001 0.000 0.260 7 T C 1.862 176.553 174.700 -0.015 0.000 1.039 7 T CA 0.841 62.931 62.100 -0.016 0.000 1.141 7 T CB -0.272 68.595 68.868 -0.002 0.000 0.869 7 T HN 0.157 nan 8.240 nan 0.000 0.437 8 M N 0.368 119.939 119.600 -0.049 0.000 2.143 8 M HA -0.061 4.419 4.480 0.001 0.000 0.258 8 M C 2.233 178.618 176.300 0.141 0.000 1.071 8 M CA 1.399 56.745 55.300 0.078 0.000 1.088 8 M CB -0.740 31.846 32.600 -0.022 0.000 1.360 8 M HN 0.226 nan 8.290 nan 0.000 0.404 9 L N 0.540 121.800 121.223 0.062 0.000 2.013 9 L HA -0.240 4.101 4.340 0.001 0.000 0.212 9 L C 1.860 178.757 176.870 0.044 0.000 1.073 9 L CA 2.070 56.944 54.840 0.056 0.000 0.753 9 L CB -1.171 40.915 42.059 0.045 0.000 0.890 9 L HN 0.337 nan 8.230 nan 0.000 0.432 10 N N -1.390 117.323 118.700 0.023 0.000 2.207 10 N HA -0.125 4.616 4.740 0.001 0.000 0.182 10 N C 1.724 177.219 175.510 -0.026 0.000 1.020 10 N CA 0.545 53.596 53.050 0.001 0.000 0.858 10 N CB -0.082 38.402 38.487 -0.005 0.000 0.991 10 N HN 0.277 nan 8.380 nan 0.000 0.427 11 E N 0.032 120.201 120.200 -0.052 0.000 2.333 11 E HA -0.157 4.194 4.350 0.001 0.000 0.198 11 E C 0.283 176.634 176.600 -0.414 0.000 1.007 11 E CA 0.942 57.229 56.400 -0.188 0.000 0.845 11 E CB 0.125 29.724 29.700 -0.169 0.000 0.766 11 E HN 0.590 nan 8.360 nan 0.000 0.507 12 H N -0.784 118.281 119.070 -0.009 0.000 3.230 12 H HA 0.156 4.712 4.556 0.001 0.000 0.259 12 H C -0.317 175.011 175.328 0.000 0.000 1.195 12 H CA -0.023 56.023 56.048 -0.003 0.000 1.112 12 H CB 0.719 30.480 29.762 -0.003 0.000 1.638 12 H HN 0.157 nan 8.280 nan 0.000 0.624 13 E N 1.117 121.357 120.200 0.067 0.000 2.269 13 E HA -0.148 4.203 4.350 0.001 0.000 0.223 13 E C -0.321 176.304 176.600 0.042 0.000 1.244 13 E CA 0.104 56.527 56.400 0.038 0.000 0.713 13 E CB -1.067 28.647 29.700 0.025 0.000 1.178 13 E HN 0.070 nan 8.360 nan 0.000 0.370 14 V N 1.065 121.011 119.914 0.054 0.000 2.458 14 V HA -0.122 3.999 4.120 0.001 0.000 0.287 14 V C 1.561 177.628 176.094 -0.045 0.000 1.009 14 V CA 1.149 63.472 62.300 0.038 0.000 1.091 14 V CB 0.945 32.795 31.823 0.045 0.000 0.960 14 V HN 0.296 nan 8.190 nan 0.000 0.476 15 K N 3.622 123.976 120.400 -0.076 0.000 2.243 15 K HA 0.211 4.531 4.320 0.001 0.000 0.201 15 K C -0.264 175.875 176.600 -0.768 0.000 1.051 15 K CA 0.898 56.967 56.287 -0.364 0.000 0.970 15 K CB 0.254 32.589 32.500 -0.275 0.000 0.755 15 K HN 0.551 nan 8.250 nan 0.000 0.465 16 F N -1.018 118.929 119.950 -0.006 0.000 2.613 16 F HA 0.360 4.888 4.527 0.001 0.000 0.310 16 F C -0.744 175.054 175.800 -0.002 0.000 1.085 16 F CA -1.233 56.751 58.000 -0.027 0.000 0.945 16 F CB 1.602 40.603 39.000 0.002 0.000 1.298 16 F HN -0.492 nan 8.300 nan 0.000 0.455 17 V N 1.163 121.170 119.914 0.154 0.000 2.444 17 V HA 0.318 4.439 4.120 0.001 0.000 0.294 17 V C -1.258 174.914 176.094 0.130 0.000 1.022 17 V CA -0.634 61.725 62.300 0.097 0.000 0.850 17 V CB 1.752 33.557 31.823 -0.029 0.000 0.992 17 V HN 0.631 nan 8.190 nan 0.000 0.426 18 D N 4.350 124.853 120.400 0.172 0.000 2.396 18 D HA 0.388 5.029 4.640 0.001 0.000 0.225 18 D C -0.564 175.828 176.300 0.154 0.000 1.121 18 D CA -0.340 53.777 54.000 0.196 0.000 0.853 18 D CB 0.944 41.935 40.800 0.319 0.000 1.043 18 D HN 0.143 nan 8.370 nan 0.000 0.500 19 L N 4.385 125.687 121.223 0.132 0.000 2.369 19 L HA 0.335 4.675 4.340 0.001 0.000 0.279 19 L C 0.690 177.655 176.870 0.159 0.000 1.108 19 L CA 0.325 55.248 54.840 0.139 0.000 0.852 19 L CB 0.232 42.365 42.059 0.122 0.000 1.169 19 L HN 0.301 nan 8.230 nan 0.000 0.452 20 R N 4.245 124.836 120.500 0.151 0.000 2.637 20 R HA 0.761 5.102 4.340 0.001 0.000 0.291 20 R C -0.968 175.468 176.300 0.227 0.000 0.963 20 R CA -0.607 55.567 56.100 0.124 0.000 0.901 20 R CB 2.133 32.446 30.300 0.022 0.000 1.160 20 R HN 0.472 nan 8.270 nan 0.000 0.457 21 F N -2.199 117.750 119.950 -0.002 0.000 2.662 21 F HA 0.566 5.093 4.527 0.001 0.000 0.312 21 F C -0.910 174.929 175.800 0.065 0.000 1.113 21 F CA -1.058 56.955 58.000 0.022 0.000 0.951 21 F CB 1.484 40.494 39.000 0.017 0.000 1.344 21 F HN 0.149 nan 8.300 nan 0.000 0.462 22 T N 1.617 116.328 114.554 0.262 0.000 2.824 22 T HA 0.410 4.761 4.350 0.001 0.000 0.280 22 T C -0.721 174.151 174.700 0.286 0.000 0.995 22 T CA -0.492 61.720 62.100 0.186 0.000 1.009 22 T CB 1.209 70.256 68.868 0.299 0.000 0.955 22 T HN 0.756 nan 8.240 nan 0.000 0.452 23 D N 1.341 121.814 120.400 0.122 0.000 2.478 23 D HA 0.201 4.841 4.640 0.001 0.000 0.274 23 D C 1.216 177.648 176.300 0.221 0.000 1.234 23 D CA -0.522 53.522 54.000 0.073 0.000 1.069 23 D CB -0.201 40.461 40.800 -0.231 0.000 1.113 23 D HN 0.324 nan 8.370 nan 0.000 0.571 24 T N -0.565 114.130 114.554 0.235 0.000 2.746 24 T HA -0.120 4.230 4.350 0.001 0.000 0.267 24 T C 1.609 176.483 174.700 0.289 0.000 1.039 24 T CA 1.373 63.679 62.100 0.344 0.000 1.142 24 T CB -0.215 68.887 68.868 0.390 0.000 0.866 24 T HN 0.395 nan 8.240 nan 0.000 0.444 25 K N 0.197 120.697 120.400 0.166 0.000 2.283 25 K HA 0.080 4.401 4.320 0.001 0.000 0.202 25 K C 1.695 178.377 176.600 0.137 0.000 1.048 25 K CA 0.760 57.131 56.287 0.140 0.000 0.948 25 K CB -0.035 32.500 32.500 0.059 0.000 0.742 25 K HN 0.486 nan 8.250 nan 0.000 0.458 26 G N 1.087 109.965 108.800 0.131 0.000 2.211 26 G HA2 -0.220 3.740 3.960 0.001 0.000 0.201 26 G HA3 -0.220 3.740 3.960 0.001 0.000 0.201 26 G C -0.180 174.761 174.900 0.069 0.000 0.997 26 G CA -0.265 44.901 45.100 0.109 0.000 0.652 26 G HN 0.146 nan 8.290 nan 0.000 0.500 27 K N 1.891 122.315 120.400 0.039 0.000 2.339 27 K HA 0.461 4.781 4.320 0.001 0.000 0.286 27 K C 0.404 176.978 176.600 -0.044 0.000 1.050 27 K CA -0.377 55.914 56.287 0.007 0.000 0.956 27 K CB 0.601 33.094 32.500 -0.012 0.000 0.990 27 K HN 0.312 nan 8.250 nan 0.000 0.475 28 E N 3.884 124.061 120.200 -0.038 0.000 2.328 28 E HA -0.042 4.309 4.350 0.001 0.000 0.265 28 E C -0.490 175.991 176.600 -0.198 0.000 1.057 28 E CA -0.229 56.109 56.400 -0.103 0.000 0.916 28 E CB 0.464 30.128 29.700 -0.059 0.000 0.993 28 E HN 0.432 nan 8.360 nan 0.000 0.446 29 Q N 2.863 122.412 119.800 -0.418 0.000 2.212 29 Q HA 0.300 4.641 4.340 0.001 0.000 0.238 29 Q C -0.143 175.616 176.000 -0.401 0.000 0.955 29 Q CA -0.445 55.015 55.803 -0.571 0.000 0.906 29 Q CB 1.563 29.523 28.738 -1.296 0.000 1.215 29 Q HN 0.670 nan 8.270 nan 0.000 0.478 30 H N -2.225 116.632 119.070 -0.355 0.000 3.079 30 H HA 0.663 5.219 4.556 0.001 0.000 0.356 30 H C -1.804 173.497 175.328 -0.045 0.000 1.221 30 H CA -0.878 55.081 56.048 -0.148 0.000 1.185 30 H CB 0.660 30.382 29.762 -0.067 0.000 1.882 30 H HN 0.387 nan 8.280 nan 0.000 0.543 31 V N 1.940 121.749 119.914 -0.175 0.000 2.925 31 V HA 0.643 4.764 4.120 0.001 0.000 0.311 31 V C -0.955 175.065 176.094 -0.124 0.000 1.104 31 V CA -0.243 61.932 62.300 -0.208 0.000 0.954 31 V CB 2.324 34.119 31.823 -0.048 0.000 1.022 31 V HN 1.069 nan 8.190 nan 0.000 0.427 32 T N 7.075 121.549 114.554 -0.133 0.000 2.792 32 T HA 0.650 5.001 4.350 0.001 0.000 0.280 32 T C -0.686 174.010 174.700 -0.006 0.000 0.990 32 T CA -0.117 61.955 62.100 -0.047 0.000 0.960 32 T CB 1.279 70.079 68.868 -0.113 0.000 0.939 32 T HN 0.479 nan 8.240 nan 0.000 0.439 33 I N 4.599 125.179 120.570 0.017 0.000 2.460 33 I HA 0.427 4.597 4.170 0.001 0.000 0.298 33 I C -2.326 173.786 176.117 -0.009 0.000 0.989 33 I CA -2.591 58.680 61.300 -0.047 0.000 1.173 33 I CB 1.779 39.680 38.000 -0.166 0.000 1.338 33 I HN 0.373 nan 8.210 nan 0.000 0.456 34 P HA 0.104 nan 4.420 nan 0.000 0.268 34 P C 0.026 177.043 177.300 -0.471 0.000 1.205 34 P CA -0.082 62.761 63.100 -0.428 0.000 0.771 34 P CB 0.760 31.982 31.700 -0.796 0.000 0.858 35 A N 3.709 126.284 122.820 -0.408 0.000 1.948 35 A HA -0.252 4.069 4.320 0.001 0.000 0.220 35 A C 1.619 179.095 177.584 -0.180 0.000 1.177 35 A CA 2.187 54.079 52.037 -0.242 0.000 0.636 35 A CB -1.819 17.078 19.000 -0.171 0.000 0.815 35 A HN 0.802 nan 8.150 nan 0.000 0.449 36 H N -0.932 118.047 119.070 -0.151 0.000 2.567 36 H HA 0.098 4.654 4.556 0.001 0.000 0.281 36 H C 1.079 176.338 175.328 -0.115 0.000 1.055 36 H CA 1.255 57.236 56.048 -0.112 0.000 1.185 36 H CB -0.275 29.427 29.762 -0.099 0.000 1.325 36 H HN 0.472 nan 8.280 nan 0.000 0.622 37 Q N 0.143 119.887 119.800 -0.093 0.000 2.217 37 Q HA 0.238 4.578 4.340 0.001 0.000 0.217 37 Q C -0.103 175.725 176.000 -0.287 0.000 0.844 37 Q CA -0.015 55.717 55.803 -0.119 0.000 0.957 37 Q CB 1.406 30.028 28.738 -0.194 0.000 1.127 37 Q HN 0.332 nan 8.270 nan 0.000 0.503 38 V N 4.468 124.190 119.914 -0.320 0.000 2.389 38 V HA 0.246 4.367 4.120 0.001 0.000 0.264 38 V C 0.065 176.184 176.094 0.043 0.000 1.049 38 V CA -0.089 62.025 62.300 -0.310 0.000 0.932 38 V CB -0.004 31.678 31.823 -0.233 0.000 1.011 38 V HN 0.353 nan 8.190 nan 0.000 0.475 39 N N 3.348 122.146 118.700 0.163 0.000 2.710 39 N HA 0.468 5.208 4.740 0.001 0.000 0.257 39 N C 0.767 176.462 175.510 0.308 0.000 1.327 39 N CA -0.360 52.822 53.050 0.220 0.000 0.861 39 N CB 1.939 40.500 38.487 0.123 0.000 1.532 39 N HN 0.399 nan 8.380 nan 0.000 0.499 40 A N 1.533 124.513 122.820 0.266 0.000 1.827 40 A HA -0.428 3.892 4.320 0.001 0.000 0.262 40 A C 1.752 179.473 177.584 0.229 0.000 2.408 40 A CA 2.994 55.175 52.037 0.239 0.000 0.827 40 A CB -1.729 17.353 19.000 0.137 0.000 0.840 40 A HN 0.922 nan 8.150 nan 0.000 0.513 41 E N -1.833 118.466 120.200 0.165 0.000 2.136 41 E HA -0.298 4.052 4.350 0.001 0.000 0.208 41 E C 1.725 178.409 176.600 0.139 0.000 1.035 41 E CA 1.712 58.190 56.400 0.130 0.000 0.838 41 E CB -0.481 29.286 29.700 0.111 0.000 0.748 41 E HN 0.733 nan 8.360 nan 0.000 0.459 42 F N 1.011 120.951 119.950 -0.016 0.000 2.010 42 F HA -0.206 4.322 4.527 0.001 0.000 0.296 42 F C 1.934 177.626 175.800 -0.180 0.000 1.146 42 F CA 1.522 59.430 58.000 -0.154 0.000 1.181 42 F CB -0.653 38.173 39.000 -0.289 0.000 0.965 42 F HN -0.097 nan 8.300 nan 0.000 0.480 43 F N 0.592 120.439 119.950 -0.171 0.000 2.494 43 F HA -0.085 4.443 4.527 0.001 0.000 0.298 43 F C 2.362 178.076 175.800 -0.143 0.000 1.106 43 F CA 1.276 59.129 58.000 -0.246 0.000 1.452 43 F CB -0.709 38.244 39.000 -0.078 0.000 1.085 43 F HN 0.202 nan 8.300 nan 0.000 0.569 44 E N 0.169 120.411 120.200 0.070 0.000 2.035 44 E HA -0.088 4.262 4.350 0.001 0.000 0.191 44 E C 1.023 177.618 176.600 -0.008 0.000 0.966 44 E CA 0.637 57.065 56.400 0.045 0.000 0.823 44 E CB 0.110 29.852 29.700 0.069 0.000 0.791 44 E HN 0.085 nan 8.360 nan 0.000 0.459 45 E N -0.053 120.139 120.200 -0.014 0.000 2.437 45 E HA 0.210 4.561 4.350 0.001 0.000 0.195 45 E C 0.008 176.578 176.600 -0.050 0.000 1.029 45 E CA 0.366 56.752 56.400 -0.023 0.000 0.948 45 E CB 0.685 30.388 29.700 0.005 0.000 1.082 45 E HN 0.473 nan 8.360 nan 0.000 0.456 46 G N 1.129 109.851 108.800 -0.130 0.000 2.606 46 G HA2 -0.299 3.661 3.960 0.001 0.000 0.285 46 G HA3 -0.299 3.661 3.960 0.001 0.000 0.285 46 G C -0.373 174.504 174.900 -0.040 0.000 1.311 46 G CA -0.193 44.798 45.100 -0.181 0.000 0.922 46 G HN 0.119 nan 8.290 nan 0.000 0.559 47 K N -0.289 120.112 120.400 0.001 0.000 2.443 47 K HA 0.460 4.781 4.320 0.001 0.000 0.252 47 K C 0.126 176.780 176.600 0.090 0.000 0.933 47 K CA -0.964 55.374 56.287 0.085 0.000 0.792 47 K CB 1.660 34.252 32.500 0.154 0.000 1.185 47 K HN 0.442 nan 8.250 nan 0.000 0.425 48 M N 3.473 123.131 119.600 0.098 0.000 2.217 48 M HA 0.332 4.813 4.480 0.001 0.000 0.354 48 M C -0.007 176.423 176.300 0.216 0.000 1.225 48 M CA -0.260 55.111 55.300 0.119 0.000 1.137 48 M CB -0.503 32.127 32.600 0.051 0.000 1.576 48 M HN 0.503 nan 8.290 nan 0.000 0.461 49 F N -0.100 119.822 119.950 -0.048 0.000 2.643 49 F HA 0.540 5.067 4.527 0.001 0.000 0.314 49 F C -0.757 175.031 175.800 -0.021 0.000 1.096 49 F CA -2.160 55.827 58.000 -0.023 0.000 0.953 49 F CB 0.696 39.689 39.000 -0.012 0.000 1.345 49 F HN 0.501 nan 8.300 nan 0.000 0.468 50 D N 1.195 121.495 120.400 -0.165 0.000 2.402 50 D HA 0.337 4.978 4.640 0.001 0.000 0.235 50 D C 1.347 177.338 176.300 -0.516 0.000 1.226 50 D CA 0.457 54.273 54.000 -0.306 0.000 0.918 50 D CB 0.914 41.658 40.800 -0.092 0.000 1.043 50 D HN 0.877 nan 8.370 nan 0.000 0.506 51 G N 2.173 110.402 108.800 -0.952 0.000 2.470 51 G HA2 -0.270 3.690 3.960 0.001 0.000 0.220 51 G HA3 -0.270 3.690 3.960 0.001 0.000 0.220 51 G C 1.560 176.399 174.900 -0.103 0.000 1.121 51 G CA 0.696 45.394 45.100 -0.670 0.000 0.766 51 G HN 0.525 nan 8.290 nan 0.000 0.553 52 S N 1.426 117.052 115.700 -0.122 0.000 2.380 52 S HA -0.215 4.255 4.470 0.001 0.000 0.229 52 S C 2.462 177.079 174.600 0.028 0.000 1.043 52 S CA 2.325 60.516 58.200 -0.014 0.000 1.038 52 S CB -0.454 62.726 63.200 -0.034 0.000 0.872 52 S HN 0.584 nan 8.310 nan 0.000 0.456 53 S N 0.414 116.126 115.700 0.020 0.000 2.631 53 S HA 0.302 4.772 4.470 0.001 0.000 0.217 53 S C 0.462 175.073 174.600 0.018 0.000 0.958 53 S CA -0.507 57.709 58.200 0.027 0.000 0.920 53 S CB -0.421 62.796 63.200 0.029 0.000 0.776 53 S HN 0.397 nan 8.310 nan 0.000 0.517 54 I N 3.170 123.749 120.570 0.014 0.000 2.416 54 I HA 0.278 4.448 4.170 0.001 0.000 0.288 54 I C 1.228 177.236 176.117 -0.182 0.000 1.051 54 I CA -0.442 60.771 61.300 -0.145 0.000 1.375 54 I CB -0.031 37.744 38.000 -0.374 0.000 1.407 54 I HN 0.277 nan 8.210 nan 0.000 0.516 55 G N 4.332 113.024 108.800 -0.179 0.000 2.192 55 G HA2 0.304 4.264 3.960 0.001 0.000 0.258 55 G HA3 0.304 4.264 3.960 0.001 0.000 0.258 55 G C 0.980 175.835 174.900 -0.075 0.000 1.185 55 G CA 0.396 45.438 45.100 -0.097 0.000 0.976 55 G HN 1.236 nan 8.290 nan 0.000 0.446 56 G N 1.092 109.938 108.800 0.076 0.000 2.157 56 G HA2 -0.218 3.742 3.960 0.001 0.000 0.239 56 G HA3 -0.218 3.742 3.960 0.001 0.000 0.239 56 G C 0.194 175.404 174.900 0.518 0.000 0.982 56 G CA 0.224 45.459 45.100 0.226 0.000 0.650 56 G HN 0.591 nan 8.290 nan 0.000 0.527 65 M N 0.904 120.282 119.600 -0.369 0.000 2.667 65 M HA 0.602 5.082 4.480 0.001 0.000 0.286 65 M C -1.332 174.929 176.300 -0.064 0.000 1.270 65 M CA -1.188 53.929 55.300 -0.306 0.000 0.826 65 M CB 2.282 34.574 32.600 -0.514 0.000 1.743 65 M HN 0.271 nan 8.290 nan 0.000 0.460 66 V N 2.741 122.650 119.914 -0.008 0.000 2.448 66 V HA 0.487 4.607 4.120 0.001 0.000 0.295 66 V C -0.974 175.127 176.094 0.012 0.000 1.025 66 V CA -0.622 61.707 62.300 0.048 0.000 0.859 66 V CB 1.670 33.483 31.823 -0.016 0.000 0.988 66 V HN 0.708 nan 8.190 nan 0.000 0.431 67 L N 7.360 128.571 121.223 -0.020 0.000 2.325 67 L HA 0.386 4.726 4.340 0.001 0.000 0.284 67 L C 0.003 176.776 176.870 -0.161 0.000 1.089 67 L CA -0.001 54.730 54.840 -0.181 0.000 0.836 67 L CB 1.011 42.914 42.059 -0.261 0.000 1.184 67 L HN 0.642 nan 8.230 nan 0.000 0.444 68 M N 8.169 127.672 119.600 -0.161 0.000 2.055 68 M HA 0.361 4.841 4.480 0.001 0.000 0.347 68 M C -2.310 173.878 176.300 -0.187 0.000 1.123 68 M CA -2.604 52.589 55.300 -0.178 0.000 1.035 68 M CB 0.854 33.383 32.600 -0.118 0.000 1.484 68 M HN 0.099 nan 8.290 nan 0.000 0.428 69 P HA 0.021 nan 4.420 nan 0.000 0.266 69 P C -0.919 176.356 177.300 -0.042 0.000 1.215 69 P CA 0.085 63.038 63.100 -0.245 0.000 0.763 69 P CB 0.340 31.640 31.700 -0.666 0.000 0.806 70 D N 3.396 123.814 120.400 0.030 0.000 2.441 70 D HA 0.236 4.876 4.640 0.001 0.000 0.221 70 D C 1.323 177.704 176.300 0.135 0.000 1.156 70 D CA -0.553 53.490 54.000 0.072 0.000 0.896 70 D CB 0.388 41.218 40.800 0.051 0.000 1.028 70 D HN 0.273 nan 8.370 nan 0.000 0.509 71 A N 2.927 125.862 122.820 0.192 0.000 2.234 71 A HA -0.147 4.174 4.320 0.001 0.000 0.216 71 A C 2.080 179.745 177.584 0.135 0.000 1.167 71 A CA 1.522 53.682 52.037 0.205 0.000 0.698 71 A CB -0.431 18.597 19.000 0.046 0.000 0.779 71 A HN 0.576 nan 8.150 nan 0.000 0.475 72 S N -0.385 115.373 115.700 0.096 0.000 2.428 72 S HA -0.129 4.341 4.470 0.001 0.000 0.230 72 S C 1.742 176.396 174.600 0.090 0.000 1.014 72 S CA 1.534 59.780 58.200 0.077 0.000 0.957 72 S CB -1.186 62.043 63.200 0.048 0.000 0.784 72 S HN 0.802 nan 8.310 nan 0.000 0.499 73 T N -0.079 114.533 114.554 0.097 0.000 3.148 73 T HA 0.476 4.826 4.350 0.001 0.000 0.253 73 T C 0.610 175.364 174.700 0.091 0.000 1.134 73 T CA 0.171 62.324 62.100 0.088 0.000 1.051 73 T CB -0.570 68.349 68.868 0.085 0.000 0.959 73 T HN 0.549 nan 8.240 nan 0.000 0.525 74 A N 1.621 124.511 122.820 0.117 0.000 2.515 74 A HA 0.544 4.864 4.320 0.001 0.000 0.263 74 A C 0.081 177.695 177.584 0.051 0.000 1.096 74 A CA -0.421 51.674 52.037 0.096 0.000 0.769 74 A CB -0.248 18.817 19.000 0.108 0.000 1.040 74 A HN 0.516 nan 8.150 nan 0.000 0.505 75 V N 3.372 123.293 119.914 0.012 0.000 2.789 75 V HA 0.431 4.551 4.120 0.001 0.000 0.311 75 V C -0.142 175.905 176.094 -0.079 0.000 1.073 75 V CA -0.813 61.468 62.300 -0.033 0.000 0.921 75 V CB 1.649 33.453 31.823 -0.031 0.000 1.009 75 V HN 0.762 nan 8.190 nan 0.000 0.426 76 I N 2.541 123.030 120.570 -0.136 0.000 2.441 76 I HA 0.188 4.358 4.170 0.001 0.000 0.287 76 I C 0.580 176.604 176.117 -0.155 0.000 1.049 76 I CA 0.439 61.642 61.300 -0.161 0.000 1.381 76 I CB 0.665 38.505 38.000 -0.267 0.000 1.409 76 I HN 0.750 nan 8.210 nan 0.000 0.523 77 D N 9.364 129.669 120.400 -0.160 0.000 2.358 77 D HA 0.084 4.724 4.640 0.001 0.000 0.258 77 D C -1.642 174.479 176.300 -0.298 0.000 1.223 77 D CA -1.144 52.701 54.000 -0.258 0.000 0.886 77 D CB 1.364 41.892 40.800 -0.453 0.000 1.120 77 D HN 0.350 nan 8.370 nan 0.000 0.482 78 P HA -0.013 nan 4.420 nan 0.000 0.245 78 P C 0.532 177.451 177.300 -0.634 0.000 1.212 78 P CA 0.420 63.149 63.100 -0.618 0.000 0.774 78 P CB 0.118 31.324 31.700 -0.824 0.000 0.999 79 F N -1.931 117.970 119.950 -0.083 0.000 2.619 79 F HA 0.249 4.776 4.527 0.001 0.000 0.281 79 F C 1.303 177.195 175.800 0.154 0.000 1.065 79 F CA -0.625 57.370 58.000 -0.009 0.000 1.304 79 F CB -0.907 38.056 39.000 -0.061 0.000 1.059 79 F HN -0.334 nan 8.300 nan 0.000 0.648 80 F N 1.400 121.483 119.950 0.220 0.000 2.602 80 F HA 0.269 4.797 4.527 0.001 0.000 0.367 80 F C 1.636 177.496 175.800 0.100 0.000 1.126 80 F CA -0.721 57.362 58.000 0.137 0.000 1.321 80 F CB -0.230 38.838 39.000 0.114 0.000 1.094 80 F HN 0.024 nan 8.300 nan 0.000 0.594 81 A N 1.817 124.788 122.820 0.252 0.000 1.933 81 A HA -0.099 4.222 4.320 0.001 0.000 0.218 81 A C 0.691 178.372 177.584 0.162 0.000 1.175 81 A CA 1.074 53.208 52.037 0.162 0.000 0.628 81 A CB -0.576 18.487 19.000 0.104 0.000 0.814 81 A HN 0.688 nan 8.150 nan 0.000 0.444 82 D N 0.034 120.553 120.400 0.197 0.000 2.175 82 D HA 0.257 4.898 4.640 0.001 0.000 0.248 82 D C -0.575 175.890 176.300 0.275 0.000 1.047 82 D CA -0.067 54.078 54.000 0.242 0.000 0.883 82 D CB 1.315 42.329 40.800 0.356 0.000 1.180 82 D HN 0.050 nan 8.370 nan 0.000 0.438 83 S N 1.031 116.855 115.700 0.207 0.000 2.571 83 S HA 0.071 4.541 4.470 0.001 0.000 0.297 83 S C -0.375 174.351 174.600 0.209 0.000 1.234 83 S CA 0.164 58.465 58.200 0.169 0.000 1.120 83 S CB -0.337 62.931 63.200 0.115 0.000 0.923 83 S HN 0.299 nan 8.310 nan 0.000 0.504 84 T N 6.592 121.269 114.554 0.206 0.000 2.824 84 T HA 0.380 4.731 4.350 0.001 0.000 0.282 84 T C -0.840 173.923 174.700 0.106 0.000 0.993 84 T CA -0.630 61.612 62.100 0.236 0.000 0.967 84 T CB 1.179 70.305 68.868 0.431 0.000 0.960 84 T HN 0.522 nan 8.240 nan 0.000 0.441 85 L N 4.920 126.201 121.223 0.097 0.000 2.280 85 L HA 0.560 4.901 4.340 0.001 0.000 0.287 85 L C -0.608 176.303 176.870 0.069 0.000 1.023 85 L CA -0.674 54.190 54.840 0.040 0.000 0.819 85 L CB 0.496 42.577 42.059 0.036 0.000 1.212 85 L HN 0.705 nan 8.230 nan 0.000 0.420 86 I N 6.036 126.623 120.570 0.029 0.000 2.496 86 I HA 0.199 4.369 4.170 0.001 0.000 0.285 86 I C 0.045 176.202 176.117 0.066 0.000 1.080 86 I CA 0.162 61.481 61.300 0.033 0.000 1.404 86 I CB 0.932 38.903 38.000 -0.049 0.000 1.403 86 I HN 0.463 nan 8.210 nan 0.000 0.539 87 I N 6.447 127.077 120.570 0.100 0.000 2.439 87 I HA 0.342 4.512 4.170 0.001 0.000 0.285 87 I C 0.084 176.262 176.117 0.101 0.000 1.021 87 I CA -0.731 60.643 61.300 0.123 0.000 1.091 87 I CB 1.703 39.816 38.000 0.188 0.000 1.242 87 I HN 0.541 nan 8.210 nan 0.000 0.439 88 R N 4.063 124.615 120.500 0.086 0.000 2.643 88 R HA 0.415 4.755 4.340 0.001 0.000 0.270 88 R C -1.064 175.277 176.300 0.068 0.000 1.061 88 R CA 0.264 56.414 56.100 0.083 0.000 1.107 88 R CB 0.633 30.984 30.300 0.085 0.000 0.999 88 R HN 0.673 nan 8.270 nan 0.000 0.460 89 C N 1.895 121.236 119.300 0.069 0.000 2.667 89 C HA 0.507 4.967 4.460 0.001 0.000 0.323 89 C C -0.988 173.991 174.990 -0.018 0.000 1.214 89 C CA -0.885 58.135 59.018 0.004 0.000 1.721 89 C CB 1.940 29.657 27.740 -0.038 0.000 2.275 89 C HN 0.741 nan 8.230 nan 0.000 0.491 90 D N 1.236 121.596 120.400 -0.067 0.000 2.198 90 D HA 0.404 5.044 4.640 0.001 0.000 0.247 90 D C -0.592 175.632 176.300 -0.126 0.000 1.010 90 D CA -0.201 53.749 54.000 -0.084 0.000 0.880 90 D CB 1.474 42.228 40.800 -0.076 0.000 1.209 90 D HN 0.237 nan 8.370 nan 0.000 0.451 91 I N 2.611 123.095 120.570 -0.142 0.000 2.322 91 I HA 0.209 4.380 4.170 0.001 0.000 0.292 91 I C 0.333 176.368 176.117 -0.136 0.000 1.060 91 I CA -0.165 61.024 61.300 -0.185 0.000 1.309 91 I CB -0.089 37.720 38.000 -0.319 0.000 1.415 91 I HN 0.129 nan 8.210 nan 0.000 0.492 92 L N 4.594 125.751 121.223 -0.109 0.000 2.334 92 L HA 0.444 4.785 4.340 0.001 0.000 0.272 92 L C 0.362 177.184 176.870 -0.080 0.000 1.020 92 L CA -1.063 53.731 54.840 -0.077 0.000 0.812 92 L CB 1.482 43.503 42.059 -0.063 0.000 1.264 92 L HN 0.405 nan 8.230 nan 0.000 0.439 93 E N 4.246 124.422 120.200 -0.040 0.000 2.299 93 E HA 0.135 4.486 4.350 0.001 0.000 0.272 93 E C -2.307 174.267 176.600 -0.042 0.000 1.043 93 E CA -1.527 54.856 56.400 -0.028 0.000 0.895 93 E CB 0.612 30.317 29.700 0.008 0.000 1.011 93 E HN 0.135 nan 8.360 nan 0.000 0.432 94 P HA 0.097 nan 4.420 nan 0.000 0.275 94 P C 0.773 178.055 177.300 -0.031 0.000 1.227 94 P CA 0.665 63.737 63.100 -0.047 0.000 0.781 94 P CB 1.394 33.059 31.700 -0.059 0.000 0.906 95 G N 3.216 112.001 108.800 -0.025 0.000 4.825 95 G HA2 -0.407 3.553 3.960 0.001 0.000 0.224 95 G HA3 -0.407 3.553 3.960 0.001 0.000 0.224 95 G C 1.300 176.190 174.900 -0.016 0.000 1.356 95 G CA 1.142 46.231 45.100 -0.018 0.000 0.966 95 G HN 0.665 nan 8.290 nan 0.000 0.690 96 T N -0.286 114.257 114.554 -0.017 0.000 2.897 96 T HA 0.151 4.502 4.350 0.001 0.000 0.271 96 T C 1.382 176.071 174.700 -0.018 0.000 1.084 96 T CA 1.581 63.672 62.100 -0.016 0.000 1.123 96 T CB -0.150 68.709 68.868 -0.015 0.000 0.865 96 T HN 1.497 nan 8.240 nan 0.000 0.496 97 L N 0.687 121.896 121.223 -0.023 0.000 3.739 97 L HA -0.214 4.126 4.340 0.001 0.000 0.442 97 L C 0.985 177.838 176.870 -0.028 0.000 1.241 97 L CA 0.920 55.743 54.840 -0.028 0.000 0.819 97 L CB -2.003 40.041 42.059 -0.025 0.000 1.679 97 L HN 0.491 nan 8.230 nan 0.000 0.889 98 Q N -0.215 119.568 119.800 -0.028 0.000 2.396 98 Q HA 0.598 4.938 4.340 0.001 0.000 0.220 98 Q C 1.128 177.105 176.000 -0.039 0.000 0.900 98 Q CA 0.590 56.374 55.803 -0.030 0.000 0.925 98 Q CB 0.751 29.472 28.738 -0.029 0.000 1.065 98 Q HN 0.633 nan 8.270 nan 0.000 0.535 99 G N 0.672 109.449 108.800 -0.037 0.000 3.353 99 G HA2 -0.196 3.765 3.960 0.001 0.000 0.682 99 G HA3 -0.196 3.765 3.960 0.001 0.000 0.682 99 G C -1.262 173.616 174.900 -0.037 0.000 1.192 99 G CA -1.065 44.007 45.100 -0.046 0.000 1.111 99 G HN 0.141 nan 8.290 nan 0.000 0.493 100 Y N 2.288 122.455 120.300 -0.221 0.000 2.916 100 Y HA 0.054 4.605 4.550 0.001 0.000 0.344 100 Y C 1.804 177.554 175.900 -0.248 0.000 1.282 100 Y CA 0.878 58.810 58.100 -0.281 0.000 1.604 100 Y CB 0.565 38.748 38.460 -0.461 0.000 1.207 100 Y HN 0.755 nan 8.280 nan 0.000 0.561 101 D N 2.138 122.242 120.400 -0.494 0.000 2.338 101 D HA 0.009 4.650 4.640 0.001 0.000 0.239 101 D C 1.369 177.428 176.300 -0.403 0.000 1.095 101 D CA 0.509 54.284 54.000 -0.376 0.000 0.888 101 D CB 0.057 40.695 40.800 -0.271 0.000 0.899 101 D HN 0.528 nan 8.370 nan 0.000 0.525 102 R N -0.333 119.806 120.500 -0.601 0.000 2.487 102 R HA 0.081 4.422 4.340 0.001 0.000 0.272 102 R C -0.371 175.838 176.300 -0.151 0.000 0.928 102 R CA -0.280 55.572 56.100 -0.415 0.000 1.077 102 R CB 0.501 30.357 30.300 -0.740 0.000 1.265 102 R HN 0.042 nan 8.270 nan 0.000 0.537 103 D N 1.384 121.680 120.400 -0.173 0.000 2.338 103 D HA 0.033 4.673 4.640 0.001 0.000 0.255 103 D C -1.452 174.810 176.300 -0.065 0.000 1.237 103 D CA -2.264 51.711 54.000 -0.042 0.000 0.883 103 D CB 1.492 42.227 40.800 -0.109 0.000 1.087 103 D HN -0.029 nan 8.370 nan 0.000 0.485 104 P HA -0.190 nan 4.420 nan 0.000 0.218 104 P C 1.388 178.483 177.300 -0.343 0.000 1.148 104 P CA 0.882 63.925 63.100 -0.094 0.000 0.822 104 P CB 0.396 32.149 31.700 0.088 0.000 0.784 105 R N 0.140 120.296 120.500 -0.574 0.000 2.066 105 R HA -0.047 4.293 4.340 0.001 0.000 0.232 105 R C 2.540 178.680 176.300 -0.267 0.000 1.131 105 R CA 1.794 57.495 56.100 -0.666 0.000 0.955 105 R CB -0.574 29.390 30.300 -0.560 0.000 0.851 105 R HN 0.053 nan 8.270 nan 0.000 0.432 106 S N 0.827 116.406 115.700 -0.203 0.000 2.359 106 S HA -0.184 4.287 4.470 0.001 0.000 0.223 106 S C 1.890 176.390 174.600 -0.165 0.000 1.039 106 S CA 1.645 59.756 58.200 -0.149 0.000 1.042 106 S CB -0.329 62.787 63.200 -0.140 0.000 0.915 106 S HN 0.307 nan 8.310 nan 0.000 0.439 107 I N 1.760 122.187 120.570 -0.238 0.000 2.194 107 I HA -0.303 3.868 4.170 0.001 0.000 0.246 107 I C 2.705 178.691 176.117 -0.218 0.000 1.093 107 I CA 1.272 62.368 61.300 -0.340 0.000 1.355 107 I CB -0.631 37.014 38.000 -0.591 0.000 1.046 107 I HN 0.294 nan 8.210 nan 0.000 0.413 108 A N 0.848 123.605 122.820 -0.104 0.000 1.877 108 A HA -0.207 4.113 4.320 0.001 0.000 0.216 108 A C 2.346 179.954 177.584 0.039 0.000 1.186 108 A CA 1.536 53.592 52.037 0.032 0.000 0.620 108 A CB -0.433 18.687 19.000 0.201 0.000 0.822 108 A HN 0.321 nan 8.150 nan 0.000 0.443 109 K N -0.504 119.902 120.400 0.010 0.000 2.057 109 K HA -0.151 4.170 4.320 0.001 0.000 0.207 109 K C 2.282 178.897 176.600 0.024 0.000 1.049 109 K CA 1.474 57.775 56.287 0.023 0.000 0.931 109 K CB -0.236 32.263 32.500 -0.001 0.000 0.714 109 K HN 0.424 nan 8.250 nan 0.000 0.440 110 R N 0.540 121.033 120.500 -0.012 0.000 2.083 110 R HA -0.118 4.223 4.340 0.001 0.000 0.237 110 R C 2.448 178.788 176.300 0.066 0.000 1.137 110 R CA 1.368 57.471 56.100 0.006 0.000 0.951 110 R CB -0.486 29.780 30.300 -0.057 0.000 0.851 110 R HN 0.194 nan 8.270 nan 0.000 0.434 111 A N 1.366 124.216 122.820 0.049 0.000 1.940 111 A HA -0.212 4.109 4.320 0.001 0.000 0.219 111 A C 1.923 179.624 177.584 0.196 0.000 1.176 111 A CA 1.460 53.574 52.037 0.129 0.000 0.631 111 A CB -0.328 18.744 19.000 0.120 0.000 0.814 111 A HN 0.346 nan 8.150 nan 0.000 0.446 112 E N -0.288 120.001 120.200 0.148 0.000 2.047 112 E HA -0.169 4.181 4.350 0.001 0.000 0.191 112 E C 1.452 178.128 176.600 0.127 0.000 0.987 112 E CA 1.152 57.638 56.400 0.143 0.000 0.799 112 E CB -0.228 29.540 29.700 0.113 0.000 0.752 112 E HN 0.541 nan 8.360 nan 0.000 0.449 113 D N 0.269 120.736 120.400 0.110 0.000 2.117 113 D HA -0.176 4.464 4.640 0.001 0.000 0.197 113 D C 1.753 178.121 176.300 0.113 0.000 0.987 113 D CA 0.884 54.939 54.000 0.091 0.000 0.829 113 D CB -0.453 40.390 40.800 0.072 0.000 0.961 113 D HN 0.191 nan 8.370 nan 0.000 0.460 114 Y N 1.519 121.845 120.300 0.043 0.000 2.193 114 Y HA -0.196 4.355 4.550 0.001 0.000 0.285 114 Y C 2.217 178.156 175.900 0.066 0.000 1.166 114 Y CA 1.186 59.317 58.100 0.051 0.000 1.181 114 Y CB -0.303 38.191 38.460 0.057 0.000 0.976 114 Y HN -0.046 nan 8.280 nan 0.000 0.520 115 L N 0.052 121.367 121.223 0.153 0.000 2.042 115 L HA -0.270 4.070 4.340 0.001 0.000 0.210 115 L C 2.462 179.326 176.870 -0.011 0.000 1.076 115 L CA 1.866 56.757 54.840 0.085 0.000 0.749 115 L CB -0.431 41.722 42.059 0.157 0.000 0.893 115 L HN 0.309 nan 8.230 nan 0.000 0.432 116 R N -0.510 119.993 120.500 0.005 0.000 2.073 116 R HA -0.147 4.193 4.340 0.001 0.000 0.234 116 R C 2.272 178.539 176.300 -0.054 0.000 1.134 116 R CA 1.411 57.505 56.100 -0.011 0.000 0.952 116 R CB -0.439 29.866 30.300 0.010 0.000 0.850 116 R HN 0.449 nan 8.270 nan 0.000 0.433 117 A N 0.704 123.469 122.820 -0.091 0.000 2.019 117 A HA -0.162 4.159 4.320 0.001 0.000 0.219 117 A C 2.140 179.614 177.584 -0.182 0.000 1.164 117 A CA 1.995 53.958 52.037 -0.124 0.000 0.644 117 A CB -0.743 18.177 19.000 -0.133 0.000 0.805 117 A HN 0.538 nan 8.150 nan 0.000 0.449 118 T N -4.211 110.181 114.554 -0.271 0.000 3.088 118 T HA 0.329 4.680 4.350 0.001 0.000 0.259 118 T C 1.580 176.225 174.700 -0.091 0.000 1.122 118 T CA 1.122 63.091 62.100 -0.218 0.000 1.095 118 T CB -0.332 68.382 68.868 -0.257 0.000 0.930 118 T HN 1.643 nan 8.240 nan 0.000 0.508 119 G N 1.503 110.265 108.800 -0.064 0.000 2.186 119 G HA2 -0.312 3.649 3.960 0.001 0.000 0.266 119 G HA3 -0.312 3.649 3.960 0.001 0.000 0.266 119 G C 0.806 175.708 174.900 0.002 0.000 0.982 119 G CA 0.574 45.661 45.100 -0.023 0.000 0.670 119 G HN 0.619 nan 8.290 nan 0.000 0.533 120 I N 0.247 120.825 120.570 0.014 0.000 2.394 120 I HA 0.272 4.442 4.170 0.001 0.000 0.251 120 I C 1.567 177.716 176.117 0.054 0.000 1.136 120 I CA 1.443 62.775 61.300 0.053 0.000 1.425 120 I CB -0.247 37.808 38.000 0.092 0.000 1.079 120 I HN 0.637 nan 8.210 nan 0.000 0.425 121 A N -0.030 122.813 122.820 0.038 0.000 2.586 121 A HA 0.305 4.625 4.320 0.001 0.000 0.290 121 A C -0.373 177.218 177.584 0.013 0.000 1.086 121 A CA -0.597 51.452 52.037 0.019 0.000 0.665 121 A CB 0.583 19.587 19.000 0.007 0.000 1.279 121 A HN 0.106 nan 8.150 nan 0.000 0.423 122 D N -0.004 120.397 120.400 0.002 0.000 2.216 122 D HA 0.071 4.712 4.640 0.001 0.000 0.208 122 D C 0.681 176.990 176.300 0.016 0.000 0.960 122 D CA 1.816 55.821 54.000 0.008 0.000 0.861 122 D CB 0.066 40.868 40.800 0.004 0.000 0.985 122 D HN 0.746 nan 8.370 nan 0.000 0.493 123 T N -0.830 113.723 114.554 -0.001 0.000 2.893 123 T HA 0.534 4.885 4.350 0.001 0.000 0.293 123 T C -0.406 174.279 174.700 -0.025 0.000 1.027 123 T CA -0.973 61.132 62.100 0.007 0.000 0.988 123 T CB 2.601 71.473 68.868 0.007 0.000 1.043 123 T HN -0.120 nan 8.240 nan 0.000 0.461 124 V N 2.269 122.200 119.914 0.028 0.000 2.394 124 V HA 0.587 4.707 4.120 0.001 0.000 0.282 124 V C -0.596 175.506 176.094 0.014 0.000 1.031 124 V CA -0.927 61.376 62.300 0.005 0.000 0.881 124 V CB 0.726 32.662 31.823 0.188 0.000 0.982 124 V HN 0.743 nan 8.190 nan 0.000 0.451 125 L N 5.516 126.637 121.223 -0.171 0.000 2.280 125 L HA 0.608 4.948 4.340 0.001 0.000 0.287 125 L C -0.597 176.114 176.870 -0.265 0.000 1.023 125 L CA 0.017 54.774 54.840 -0.139 0.000 0.819 125 L CB 0.965 42.842 42.059 -0.304 0.000 1.212 125 L HN 0.499 nan 8.230 nan 0.000 0.420 126 F N 1.319 121.169 119.950 -0.167 0.000 2.469 126 F HA 0.696 5.223 4.527 0.001 0.000 0.332 126 F C 0.855 176.572 175.800 -0.139 0.000 1.103 126 F CA -0.573 57.264 58.000 -0.271 0.000 0.979 126 F CB 2.256 40.890 39.000 -0.610 0.000 1.137 126 F HN 0.453 nan 8.300 nan 0.000 0.463 127 G N 4.021 112.860 108.800 0.064 0.000 3.712 127 G HA2 0.479 4.440 3.960 0.001 0.000 0.327 127 G HA3 0.479 4.440 3.960 0.001 0.000 0.327 127 G C -3.217 171.778 174.900 0.158 0.000 1.566 127 G CA -1.468 43.706 45.100 0.123 0.000 0.953 127 G HN 0.223 nan 8.290 nan 0.000 0.488 128 P HA 0.238 nan 4.420 nan 0.000 0.276 128 P C -0.250 177.109 177.300 0.099 0.000 1.230 128 P CA -0.050 63.146 63.100 0.160 0.000 0.776 128 P CB 1.249 33.090 31.700 0.234 0.000 0.888 129 E N 3.570 123.835 120.200 0.108 0.000 2.731 129 E HA 0.246 4.597 4.350 0.001 0.000 0.220 129 E C -2.306 174.314 176.600 0.034 0.000 1.087 129 E CA -1.920 54.513 56.400 0.055 0.000 1.020 129 E CB 0.103 29.823 29.700 0.033 0.000 1.339 129 E HN 0.396 nan 8.360 nan 0.000 0.444 130 P HA 0.031 nan 4.420 nan 0.000 0.276 130 P C -0.548 176.905 177.300 0.256 0.000 1.235 130 P CA 0.094 63.244 63.100 0.083 0.000 0.772 130 P CB 0.806 32.453 31.700 -0.089 0.000 0.871 131 E N 2.227 122.584 120.200 0.261 0.000 2.212 131 E HA 0.652 5.002 4.350 0.001 0.000 0.270 131 E C -0.572 176.174 176.600 0.244 0.000 0.956 131 E CA -0.634 55.860 56.400 0.156 0.000 0.825 131 E CB 1.058 30.744 29.700 -0.024 0.000 1.167 131 E HN 0.414 nan 8.360 nan 0.000 0.400 132 F N -1.013 118.830 119.950 -0.178 0.000 2.643 132 F HA 0.668 5.195 4.527 0.001 0.000 0.314 132 F C -1.382 174.095 175.800 -0.537 0.000 1.096 132 F CA -1.364 56.392 58.000 -0.407 0.000 0.953 132 F CB 0.832 39.379 39.000 -0.755 0.000 1.345 132 F HN 0.233 nan 8.300 nan 0.000 0.468 133 F N 1.535 121.313 119.950 -0.286 0.000 2.480 133 F HA 0.670 5.198 4.527 0.001 0.000 0.329 133 F C -0.760 174.719 175.800 -0.534 0.000 1.091 133 F CA -0.879 56.814 58.000 -0.512 0.000 0.972 133 F CB 2.009 40.547 39.000 -0.771 0.000 1.150 133 F HN 0.390 nan 8.300 nan 0.000 0.467 134 L N 4.850 125.903 121.223 -0.283 0.000 2.384 134 L HA 0.465 4.806 4.340 0.001 0.000 0.261 134 L C -1.239 175.604 176.870 -0.044 0.000 1.024 134 L CA -0.356 54.396 54.840 -0.147 0.000 0.899 134 L CB -0.420 41.601 42.059 -0.064 0.000 1.243 134 L HN 0.269 nan 8.230 nan 0.000 0.449 135 F N 1.223 121.265 119.950 0.153 0.000 2.411 135 F HA 0.416 4.943 4.527 0.001 0.000 0.324 135 F C 1.462 177.326 175.800 0.107 0.000 1.086 135 F CA -0.739 57.345 58.000 0.140 0.000 1.028 135 F CB 0.610 39.700 39.000 0.151 0.000 1.284 135 F HN 0.346 nan 8.300 nan 0.000 0.501 136 D N -0.795 119.797 120.400 0.320 0.000 2.324 136 D HA 0.015 4.655 4.640 0.001 0.000 0.212 136 D C -0.337 176.062 176.300 0.166 0.000 0.984 136 D CA 1.008 55.123 54.000 0.192 0.000 0.885 136 D CB 0.265 41.157 40.800 0.153 0.000 0.996 136 D HN 0.513 nan 8.370 nan 0.000 0.505 137 D N -0.358 120.149 120.400 0.178 0.000 2.970 137 D HA 0.388 5.029 4.640 0.001 0.000 0.230 137 D C -1.745 174.612 176.300 0.096 0.000 1.276 137 D CA -0.637 53.434 54.000 0.119 0.000 0.910 137 D CB 1.908 42.765 40.800 0.094 0.000 1.590 137 D HN -0.181 nan 8.370 nan 0.000 0.551 138 I N 2.855 123.482 120.570 0.095 0.000 2.468 138 I HA 0.531 4.702 4.170 0.001 0.000 0.285 138 I C -1.543 174.587 176.117 0.022 0.000 1.039 138 I CA -0.214 61.141 61.300 0.093 0.000 1.074 138 I CB 1.139 39.279 38.000 0.234 0.000 1.228 138 I HN 0.383 nan 8.210 nan 0.000 0.436 139 R N 6.831 127.331 120.500 -0.000 0.000 2.599 139 R HA 0.840 5.180 4.340 0.001 0.000 0.295 139 R C -1.472 174.755 176.300 -0.121 0.000 0.963 139 R CA -0.469 55.558 56.100 -0.121 0.000 0.883 139 R CB 1.726 32.027 30.300 0.002 0.000 1.171 139 R HN 0.591 nan 8.270 nan 0.000 0.450 140 F N -1.147 118.649 119.950 -0.257 0.000 2.741 140 F HA 0.905 5.433 4.527 0.001 0.000 0.313 140 F C -0.488 175.005 175.800 -0.512 0.000 1.153 140 F CA -1.225 56.434 58.000 -0.569 0.000 0.931 140 F CB 1.528 40.346 39.000 -0.304 0.000 1.335 140 F HN 0.627 nan 8.300 nan 0.000 0.460 141 G N -0.266 108.404 108.800 -0.215 0.000 2.377 141 G HA2 0.714 4.675 3.960 0.001 0.000 0.297 141 G HA3 0.714 4.675 3.960 0.001 0.000 0.297 141 G C -2.533 172.409 174.900 0.069 0.000 1.547 141 G CA -0.271 44.846 45.100 0.030 0.000 0.833 141 G HN 1.587 nan 8.290 nan 0.000 0.583 142 A N -0.173 122.697 122.820 0.084 0.000 2.422 142 A HA 1.001 5.321 4.320 0.001 0.000 0.302 142 A C -0.144 177.475 177.584 0.058 0.000 1.041 142 A CA 0.152 52.227 52.037 0.064 0.000 0.708 142 A CB 1.873 20.897 19.000 0.041 0.000 1.257 142 A HN 2.286 nan 8.150 nan 0.000 0.414 143 S N 1.552 117.282 115.700 0.049 0.000 2.638 143 S HA 0.488 4.959 4.470 0.001 0.000 0.274 143 S C 0.836 175.456 174.600 0.033 0.000 1.157 143 S CA -0.018 58.204 58.200 0.037 0.000 0.826 143 S CB 0.815 64.034 63.200 0.031 0.000 1.139 143 S HN 1.308 nan 8.310 nan 0.000 0.474 144 I N 2.198 122.785 120.570 0.029 0.000 2.194 144 I HA -0.155 4.015 4.170 0.001 0.000 0.246 144 I C 1.982 178.117 176.117 0.030 0.000 1.093 144 I CA 2.341 63.661 61.300 0.033 0.000 1.355 144 I CB -0.229 37.788 38.000 0.028 0.000 1.046 144 I HN 0.827 nan 8.210 nan 0.000 0.413 145 S N -0.317 115.390 115.700 0.012 0.000 2.603 145 S HA 0.419 4.889 4.470 0.001 0.000 0.220 145 S C 0.630 175.205 174.600 -0.041 0.000 0.967 145 S CA 0.121 58.316 58.200 -0.008 0.000 0.920 145 S CB -0.043 63.145 63.200 -0.019 0.000 0.773 145 S HN 0.742 nan 8.310 nan 0.000 0.529 146 G N 0.114 108.900 108.800 -0.024 0.000 2.356 146 G HA2 0.414 4.374 3.960 0.001 0.000 0.288 146 G HA3 0.414 4.374 3.960 0.001 0.000 0.288 146 G C -1.219 173.684 174.900 0.005 0.000 1.302 146 G CA -0.310 44.757 45.100 -0.055 0.000 0.887 146 G HN 1.253 nan 8.290 nan 0.000 0.521 147 S N -0.617 115.088 115.700 0.008 0.000 2.567 147 S HA 0.858 5.328 4.470 0.001 0.000 0.270 147 S C -1.121 173.550 174.600 0.119 0.000 1.152 147 S CA 0.003 58.245 58.200 0.070 0.000 0.835 147 S CB 2.223 65.436 63.200 0.021 0.000 1.115 147 S HN 2.428 nan 8.310 nan 0.000 0.459 148 H N -0.971 118.085 119.070 -0.023 0.000 3.037 148 H HA 0.815 5.372 4.556 0.001 0.000 0.336 148 H C -2.098 173.247 175.328 0.028 0.000 1.323 148 H CA -0.881 55.151 56.048 -0.026 0.000 1.159 148 H CB 0.990 30.729 29.762 -0.038 0.000 1.882 148 H HN 1.063 nan 8.280 nan 0.000 0.535 149 V N 0.783 120.659 119.914 -0.064 0.000 2.808 149 V HA 0.799 4.919 4.120 0.001 0.000 0.308 149 V C -1.331 174.755 176.094 -0.013 0.000 1.099 149 V CA 0.077 62.335 62.300 -0.070 0.000 0.920 149 V CB 1.455 33.233 31.823 -0.074 0.000 1.014 149 V HN 1.327 nan 8.190 nan 0.000 0.425 150 A N 7.321 130.143 122.820 0.002 0.000 2.411 150 A HA 0.826 5.146 4.320 0.001 0.000 0.285 150 A C -1.048 176.483 177.584 -0.088 0.000 1.129 150 A CA -0.419 51.596 52.037 -0.038 0.000 0.736 150 A CB 0.921 19.943 19.000 0.037 0.000 1.186 150 A HN 0.816 nan 8.150 nan 0.000 0.445 151 I N 1.837 122.285 120.570 -0.204 0.000 2.359 151 I HA 0.460 4.630 4.170 0.001 0.000 0.294 151 I C -0.758 175.309 176.117 -0.083 0.000 0.987 151 I CA -0.223 60.891 61.300 -0.310 0.000 1.225 151 I CB 1.901 39.570 38.000 -0.551 0.000 1.366 151 I HN 0.602 nan 8.210 nan 0.000 0.466 152 D N 4.208 124.609 120.400 0.001 0.000 2.947 152 D HA 0.458 5.098 4.640 0.001 0.000 0.224 152 D C -1.761 174.682 176.300 0.238 0.000 1.230 152 D CA -0.275 53.886 54.000 0.269 0.000 0.871 152 D CB 2.177 43.117 40.800 0.233 0.000 1.671 152 D HN 0.482 nan 8.370 nan 0.000 0.507 153 D N 2.108 122.659 120.400 0.251 0.000 2.736 153 D HA 0.209 4.849 4.640 0.001 0.000 0.223 153 D C 0.583 176.900 176.300 0.028 0.000 1.231 153 D CA -0.624 53.481 54.000 0.175 0.000 0.818 153 D CB 1.592 42.558 40.800 0.278 0.000 1.587 153 D HN 0.227 nan 8.370 nan 0.000 0.463 154 I N 2.042 122.637 120.570 0.042 0.000 2.315 154 I HA -0.139 4.031 4.170 0.001 0.000 0.251 154 I C 1.316 177.383 176.117 -0.084 0.000 1.125 154 I CA 1.786 63.070 61.300 -0.027 0.000 1.392 154 I CB -0.003 37.958 38.000 -0.064 0.000 1.065 154 I HN 0.535 nan 8.210 nan 0.000 0.424 155 E N 0.279 120.437 120.200 -0.071 0.000 2.489 155 E HA 0.112 4.463 4.350 0.001 0.000 0.193 155 E C 0.940 177.397 176.600 -0.239 0.000 1.057 155 E CA 0.199 56.550 56.400 -0.082 0.000 0.866 155 E CB -0.182 29.536 29.700 0.030 0.000 0.916 155 E HN 0.571 nan 8.360 nan 0.000 0.500 156 G N 0.658 109.135 108.800 -0.538 0.000 2.354 156 G HA2 0.189 4.149 3.960 0.001 0.000 0.266 156 G HA3 0.189 4.149 3.960 0.001 0.000 0.266 156 G C 1.007 175.377 174.900 -0.883 0.000 1.242 156 G CA 0.201 44.529 45.100 -1.287 0.000 0.923 156 G HN 0.162 nan 8.290 nan 0.000 0.476 157 A N 3.040 125.608 122.820 -0.420 0.000 1.997 157 A HA -0.176 4.144 4.320 0.001 0.000 0.221 157 A C 1.972 179.560 177.584 0.007 0.000 1.172 157 A CA 1.947 53.924 52.037 -0.100 0.000 0.645 157 A CB -0.727 18.308 19.000 0.059 0.000 0.813 157 A HN 1.147 nan 8.150 nan 0.000 0.454 158 W N -0.350 120.986 121.300 0.059 0.000 2.468 158 W HA -0.054 4.607 4.660 0.001 0.000 0.262 158 W C 0.984 177.531 176.519 0.046 0.000 1.241 158 W CA 0.847 58.218 57.345 0.043 0.000 1.232 158 W CB -1.047 28.431 29.460 0.030 0.000 1.124 158 W HN 0.328 nan 8.180 nan 0.000 0.597 159 N N 0.820 119.446 118.700 -0.124 0.000 2.449 159 N HA -0.094 4.646 4.740 0.001 0.000 0.191 159 N C 1.829 177.381 175.510 0.071 0.000 1.161 159 N CA 0.804 53.865 53.050 0.018 0.000 0.863 159 N CB -0.061 38.440 38.487 0.023 0.000 0.980 159 N HN 0.269 nan 8.380 nan 0.000 0.458 160 S N -0.317 115.410 115.700 0.045 0.000 2.419 160 S HA -0.192 4.279 4.470 0.001 0.000 0.235 160 S C 1.888 176.514 174.600 0.044 0.000 1.019 160 S CA 1.425 59.650 58.200 0.041 0.000 0.982 160 S CB -0.369 62.849 63.200 0.030 0.000 0.789 160 S HN 0.365 nan 8.310 nan 0.000 0.490 161 S N 0.120 115.847 115.700 0.046 0.000 2.524 161 S HA 0.148 4.619 4.470 0.001 0.000 0.216 161 S C 0.613 175.206 174.600 -0.011 0.000 0.987 161 S CA -0.212 58.002 58.200 0.024 0.000 0.909 161 S CB -0.676 62.544 63.200 0.032 0.000 0.781 161 S HN 0.391 nan 8.310 nan 0.000 0.521 162 T N 3.783 118.312 114.554 -0.042 0.000 2.888 162 T HA 0.177 4.527 4.350 0.001 0.000 0.301 162 T C -0.111 174.436 174.700 -0.256 0.000 1.001 162 T CA 0.064 62.042 62.100 -0.204 0.000 1.147 162 T CB 0.467 69.073 68.868 -0.436 0.000 0.931 162 T HN 0.309 nan 8.240 nan 0.000 0.541 163 K N 2.738 122.996 120.400 -0.236 0.000 2.297 163 K HA 0.168 4.488 4.320 0.001 0.000 0.286 163 K C -0.294 176.155 176.600 -0.251 0.000 1.053 163 K CA -0.173 56.023 56.287 -0.151 0.000 0.940 163 K CB 0.650 33.102 32.500 -0.080 0.000 1.019 163 K HN 0.634 nan 8.250 nan 0.000 0.475 164 Y N 1.147 121.452 120.300 0.009 0.000 2.445 164 Y HA -0.068 4.483 4.550 0.001 0.000 0.247 164 Y C 1.314 177.219 175.900 0.009 0.000 1.129 164 Y CA 0.189 58.295 58.100 0.010 0.000 1.251 164 Y CB 0.294 38.758 38.460 0.008 0.000 1.176 164 Y HN 0.905 nan 8.280 nan 0.000 0.522 165 E N -1.893 118.389 120.200 0.136 0.000 4.586 165 E HA -0.309 4.041 4.350 0.001 0.000 0.271 165 E C 1.555 178.201 176.600 0.077 0.000 0.767 165 E CA 1.536 57.988 56.400 0.086 0.000 1.491 165 E CB -1.802 27.939 29.700 0.068 0.000 1.758 165 E HN 0.412 nan 8.360 nan 0.000 0.398 166 G N 0.693 109.549 108.800 0.094 0.000 2.464 166 G HA2 0.403 4.364 3.960 0.001 0.000 0.217 166 G HA3 0.403 4.364 3.960 0.001 0.000 0.217 166 G C 1.012 175.943 174.900 0.052 0.000 1.138 166 G CA 0.487 45.618 45.100 0.053 0.000 0.793 166 G HN 1.346 nan 8.290 nan 0.000 0.539 167 G N -0.952 107.901 108.800 0.088 0.000 2.406 167 G HA2 -0.127 3.833 3.960 0.001 0.000 0.680 167 G HA3 -0.127 3.833 3.960 0.001 0.000 0.680 167 G C 0.135 175.102 174.900 0.112 0.000 1.338 167 G CA 0.227 45.376 45.100 0.081 0.000 0.941 167 G HN 0.148 nan 8.290 nan 0.000 0.633 168 N N 0.243 119.013 118.700 0.116 0.000 2.409 168 N HA -0.054 4.687 4.740 0.001 0.000 0.174 168 N C 1.528 177.053 175.510 0.025 0.000 1.037 168 N CA 1.356 54.502 53.050 0.160 0.000 0.898 168 N CB -0.238 38.361 38.487 0.186 0.000 1.010 168 N HN 0.606 nan 8.380 nan 0.000 0.445 169 K N -1.354 119.045 120.400 -0.002 0.000 3.580 169 K HA -0.218 4.102 4.320 0.001 0.000 0.288 169 K C 1.095 177.619 176.600 -0.128 0.000 1.160 169 K CA 1.332 57.602 56.287 -0.029 0.000 1.053 169 K CB -2.227 30.272 32.500 -0.003 0.000 1.362 169 K HN 0.422 nan 8.250 nan 0.000 0.436 170 G N 1.179 109.902 108.800 -0.129 0.000 2.230 170 G HA2 -0.357 3.604 3.960 0.001 0.000 0.270 170 G HA3 -0.357 3.604 3.960 0.001 0.000 0.270 170 G C 0.035 174.743 174.900 -0.321 0.000 0.987 170 G CA 1.281 46.256 45.100 -0.210 0.000 0.664 170 G HN 0.607 nan 8.290 nan 0.000 0.539 171 H N 0.181 119.241 119.070 -0.017 0.000 2.723 171 H HA 0.600 5.157 4.556 0.001 0.000 0.294 171 H C 0.672 175.982 175.328 -0.030 0.000 1.079 171 H CA 0.220 56.256 56.048 -0.020 0.000 1.411 171 H CB 0.911 30.661 29.762 -0.021 0.000 1.439 171 H HN 0.483 nan 8.280 nan 0.000 0.474 172 R N 3.729 124.257 120.500 0.047 0.000 2.594 172 R HA 0.233 4.573 4.340 0.001 0.000 0.265 172 R C -3.010 173.285 176.300 -0.007 0.000 1.070 172 R CA -1.667 54.434 56.100 0.000 0.000 0.909 172 R CB 2.150 32.428 30.300 -0.035 0.000 1.243 172 R HN 0.374 nan 8.270 nan 0.000 0.455 173 P HA 0.109 nan 4.420 nan 0.000 0.271 173 P C 0.035 177.334 177.300 -0.002 0.000 1.233 173 P CA 0.038 63.118 63.100 -0.033 0.000 0.764 173 P CB 1.091 32.739 31.700 -0.086 0.000 0.825 174 G N 2.160 110.969 108.800 0.014 0.000 2.647 174 G HA2 0.166 4.127 3.960 0.001 0.000 0.271 174 G HA3 0.166 4.127 3.960 0.001 0.000 0.271 174 G C 1.353 176.291 174.900 0.063 0.000 1.300 174 G CA -0.040 45.081 45.100 0.036 0.000 0.997 174 G HN 0.375 nan 8.290 nan 0.000 0.533 175 V N -1.888 118.078 119.914 0.086 0.000 2.261 175 V HA -0.025 4.096 4.120 0.001 0.000 0.246 175 V C 1.828 177.982 176.094 0.099 0.000 1.047 175 V CA 2.102 64.471 62.300 0.115 0.000 1.015 175 V CB -0.592 31.299 31.823 0.114 0.000 0.642 175 V HN 0.548 nan 8.190 nan 0.000 0.446 176 K N 0.980 121.420 120.400 0.067 0.000 2.570 176 K HA 0.367 4.687 4.320 0.001 0.000 0.210 176 K C 1.262 177.895 176.600 0.054 0.000 1.048 176 K CA 0.473 56.795 56.287 0.059 0.000 1.167 176 K CB 0.411 32.929 32.500 0.030 0.000 0.892 176 K HN 0.634 nan 8.250 nan 0.000 0.480 177 G N -0.218 108.614 108.800 0.053 0.000 3.502 177 G HA2 0.020 3.980 3.960 0.001 0.000 0.267 177 G HA3 0.020 3.980 3.960 0.001 0.000 0.267 177 G C 0.976 175.876 174.900 0.000 0.000 1.090 177 G CA -0.245 44.876 45.100 0.035 0.000 0.795 177 G HN 0.327 nan 8.290 nan 0.000 0.535 178 G N -0.167 108.633 108.800 -0.001 0.000 2.650 178 G HA2 -0.081 3.880 3.960 0.001 0.000 0.214 178 G HA3 -0.081 3.880 3.960 0.001 0.000 0.214 178 G C 0.293 175.118 174.900 -0.126 0.000 1.136 178 G CA -0.157 44.816 45.100 -0.211 0.000 0.789 178 G HN 0.372 nan 8.290 nan 0.000 0.536 179 Y N 1.057 121.319 120.300 -0.064 0.000 2.620 179 Y HA 0.354 4.904 4.550 0.001 0.000 0.352 179 Y C 0.268 176.181 175.900 0.023 0.000 1.140 179 Y CA -0.904 57.154 58.100 -0.070 0.000 1.529 179 Y CB -0.386 37.931 38.460 -0.238 0.000 1.321 179 Y HN 0.181 nan 8.280 nan 0.000 0.501 180 F N 1.316 121.078 119.950 -0.313 0.000 2.544 180 F HA -0.217 4.311 4.527 0.001 0.000 0.389 180 F C -1.718 173.986 175.800 -0.159 0.000 0.588 180 F CA -0.394 57.433 58.000 -0.289 0.000 1.461 180 F CB -2.429 36.374 39.000 -0.329 0.000 1.995 180 F HN 0.391 nan 8.300 nan 0.000 0.282 181 P HA 0.391 nan 4.420 nan 0.000 0.269 181 P C 0.063 177.338 177.300 -0.042 0.000 1.209 181 P CA -0.125 62.971 63.100 -0.007 0.000 0.776 181 P CB 0.762 32.450 31.700 -0.019 0.000 0.876 182 V N 0.351 120.237 119.914 -0.047 0.000 3.096 182 V HA 0.250 4.371 4.120 0.001 0.000 0.306 182 V C -2.241 173.821 176.094 -0.054 0.000 1.088 182 V CA -1.889 60.376 62.300 -0.059 0.000 1.129 182 V CB -1.035 30.752 31.823 -0.061 0.000 1.014 182 V HN 0.433 nan 8.190 nan 0.000 0.486 183 P HA 0.077 nan 4.420 nan 0.000 0.266 183 P C -1.783 175.468 177.300 -0.082 0.000 1.186 183 P CA -0.430 62.642 63.100 -0.046 0.000 0.767 183 P CB -0.128 31.552 31.700 -0.034 0.000 0.820 184 P HA -0.019 nan 4.420 nan 0.000 0.245 184 P C 0.937 178.231 177.300 -0.009 0.000 1.212 184 P CA 0.493 63.559 63.100 -0.057 0.000 0.774 184 P CB 0.138 31.800 31.700 -0.063 0.000 0.999 185 V N 0.761 120.667 119.914 -0.013 0.000 2.407 185 V HA -0.148 3.973 4.120 0.001 0.000 0.248 185 V C 1.191 177.284 176.094 -0.002 0.000 1.055 185 V CA 1.819 64.129 62.300 0.017 0.000 1.049 185 V CB -1.114 30.708 31.823 -0.001 0.000 0.662 185 V HN 0.204 nan 8.190 nan 0.000 0.455 186 D N -0.197 120.200 120.400 -0.005 0.000 2.411 186 D HA 0.106 4.747 4.640 0.001 0.000 0.225 186 D C 1.362 177.694 176.300 0.053 0.000 1.156 186 D CA 0.602 54.635 54.000 0.054 0.000 0.874 186 D CB 1.236 42.067 40.800 0.051 0.000 1.034 186 D HN 0.265 nan 8.370 nan 0.000 0.502 187 S N 2.612 118.349 115.700 0.062 0.000 2.481 187 S HA -0.059 4.412 4.470 0.001 0.000 0.231 187 S C 1.534 176.130 174.600 -0.007 0.000 0.996 187 S CA 0.485 58.699 58.200 0.023 0.000 0.942 187 S CB 0.021 63.232 63.200 0.018 0.000 0.768 187 S HN 0.392 nan 8.310 nan 0.000 0.520 188 A N 0.437 123.245 122.820 -0.020 0.000 2.415 188 A HA 0.401 4.721 4.320 0.001 0.000 0.248 188 A C 1.806 179.308 177.584 -0.136 0.000 1.299 188 A CA 0.189 52.160 52.037 -0.109 0.000 0.899 188 A CB -0.349 18.552 19.000 -0.166 0.000 0.997 188 A HN 0.461 nan 8.150 nan 0.000 0.506 189 Q N 1.129 120.891 119.800 -0.064 0.000 2.045 189 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 189 Q C 1.079 177.020 176.000 -0.098 0.000 0.991 189 Q CA 2.526 58.307 55.803 -0.037 0.000 0.851 189 Q CB -0.208 28.538 28.738 0.014 0.000 0.911 189 Q HN 0.582 nan 8.270 nan 0.000 0.418 190 D N -0.495 119.854 120.400 -0.085 0.000 2.144 190 D HA -0.107 4.533 4.640 0.001 0.000 0.199 190 D C 1.911 178.043 176.300 -0.281 0.000 0.984 190 D CA 1.219 55.167 54.000 -0.086 0.000 0.834 190 D CB -0.107 40.716 40.800 0.038 0.000 0.955 190 D HN 0.408 nan 8.370 nan 0.000 0.465 191 I N 0.616 120.880 120.570 -0.510 0.000 2.202 191 I HA -0.193 3.977 4.170 0.001 0.000 0.242 191 I C 2.508 178.323 176.117 -0.503 0.000 1.091 191 I CA 0.860 61.651 61.300 -0.849 0.000 1.368 191 I CB -0.176 37.343 38.000 -0.802 0.000 1.058 191 I HN -0.112 nan 8.210 nan 0.000 0.410 192 R N 0.517 120.754 120.500 -0.438 0.000 2.075 192 R HA -0.093 4.247 4.340 0.001 0.000 0.232 192 R C 2.546 178.475 176.300 -0.619 0.000 1.126 192 R CA 1.590 57.373 56.100 -0.529 0.000 0.963 192 R CB -0.426 29.428 30.300 -0.743 0.000 0.858 192 R HN 0.253 nan 8.270 nan 0.000 0.435 193 S N 0.824 116.197 115.700 -0.546 0.000 2.383 193 S HA -0.150 4.320 4.470 0.001 0.000 0.229 193 S C 1.748 176.297 174.600 -0.084 0.000 1.030 193 S CA 1.045 59.146 58.200 -0.165 0.000 1.002 193 S CB -0.122 63.094 63.200 0.027 0.000 0.829 193 S HN 0.312 nan 8.310 nan 0.000 0.467 194 E N 0.817 120.955 120.200 -0.103 0.000 2.077 194 E HA -0.103 4.248 4.350 0.001 0.000 0.193 194 E C 2.023 178.598 176.600 -0.041 0.000 0.989 194 E CA 0.943 57.328 56.400 -0.024 0.000 0.800 194 E CB -0.182 29.544 29.700 0.043 0.000 0.746 194 E HN 0.538 nan 8.360 nan 0.000 0.452 195 M N -0.261 119.265 119.600 -0.123 0.000 2.117 195 M HA -0.209 4.272 4.480 0.001 0.000 0.262 195 M C 2.628 178.876 176.300 -0.087 0.000 1.065 195 M CA 1.110 56.334 55.300 -0.128 0.000 1.114 195 M CB -0.359 32.112 32.600 -0.215 0.000 1.361 195 M HN 0.221 nan 8.290 nan 0.000 0.408 196 C N 0.427 119.691 119.300 -0.061 0.000 2.432 196 C HA -0.117 4.344 4.460 0.001 0.000 0.277 196 C C 2.689 177.684 174.990 0.009 0.000 1.249 196 C CA 0.643 59.667 59.018 0.010 0.000 1.725 196 C CB -1.099 26.693 27.740 0.087 0.000 2.028 196 C HN 0.526 nan 8.230 nan 0.000 0.477 197 L N 0.426 121.652 121.223 0.005 0.000 2.017 197 L HA -0.128 4.213 4.340 0.001 0.000 0.208 197 L C 2.563 179.422 176.870 -0.018 0.000 1.073 197 L CA 1.268 56.109 54.840 0.002 0.000 0.745 197 L CB -0.877 41.187 42.059 0.008 0.000 0.894 197 L HN 0.204 nan 8.230 nan 0.000 0.432 198 V N -0.453 119.444 119.914 -0.028 0.000 2.515 198 V HA -0.275 3.845 4.120 0.001 0.000 0.250 198 V C 2.481 178.544 176.094 -0.053 0.000 1.058 198 V CA 1.609 63.868 62.300 -0.067 0.000 1.064 198 V CB -0.361 31.424 31.823 -0.063 0.000 0.675 198 V HN 0.385 nan 8.190 nan 0.000 0.461 199 M N -0.693 118.891 119.600 -0.027 0.000 2.117 199 M HA -0.188 4.292 4.480 0.001 0.000 0.262 199 M C 2.251 178.553 176.300 0.005 0.000 1.065 199 M CA 1.838 57.136 55.300 -0.003 0.000 1.114 199 M CB -0.433 32.174 32.600 0.011 0.000 1.361 199 M HN 0.370 nan 8.290 nan 0.000 0.408 200 E N -0.119 120.082 120.200 0.001 0.000 2.106 200 E HA -0.255 4.096 4.350 0.001 0.000 0.192 200 E C 1.942 178.535 176.600 -0.012 0.000 0.984 200 E CA 1.003 57.403 56.400 -0.000 0.000 0.806 200 E CB -0.260 29.442 29.700 0.003 0.000 0.750 200 E HN 0.574 nan 8.360 nan 0.000 0.458 201 Q N 0.071 119.854 119.800 -0.028 0.000 2.291 201 Q HA -0.101 4.239 4.340 0.001 0.000 0.206 201 Q C 1.630 177.601 176.000 -0.048 0.000 0.976 201 Q CA 0.935 56.712 55.803 -0.043 0.000 0.875 201 Q CB 0.131 28.827 28.738 -0.070 0.000 0.927 201 Q HN 0.263 nan 8.270 nan 0.000 0.450 202 M N -1.728 117.849 119.600 -0.038 0.000 2.383 202 M HA 0.188 4.668 4.480 0.001 0.000 0.247 202 M C 0.617 176.916 176.300 -0.001 0.000 1.117 202 M CA 0.612 55.897 55.300 -0.025 0.000 0.995 202 M CB 1.269 33.862 32.600 -0.011 0.000 1.480 202 M HN 0.356 nan 8.290 nan 0.000 0.485 203 G N 1.169 109.969 108.800 -0.000 0.000 2.134 203 G HA2 -0.177 3.783 3.960 0.001 0.000 0.209 203 G HA3 -0.177 3.783 3.960 0.001 0.000 0.209 203 G C -0.440 174.463 174.900 0.006 0.000 0.993 203 G CA -0.474 44.629 45.100 0.004 0.000 0.669 203 G HN 0.283 nan 8.290 nan 0.000 0.519 204 L N 0.110 121.343 121.223 0.016 0.000 2.375 204 L HA 0.775 5.116 4.340 0.001 0.000 0.268 204 L C 0.552 177.427 176.870 0.009 0.000 1.058 204 L CA -0.992 53.863 54.840 0.024 0.000 0.803 204 L CB 1.997 44.096 42.059 0.067 0.000 1.212 204 L HN -0.033 nan 8.230 nan 0.000 0.451 205 V N 2.463 122.374 119.914 -0.006 0.000 2.334 205 V HA 0.334 4.455 4.120 0.001 0.000 0.281 205 V C -0.176 175.927 176.094 0.015 0.000 1.016 205 V CA -0.811 61.480 62.300 -0.014 0.000 0.832 205 V CB 1.592 33.378 31.823 -0.062 0.000 0.999 205 V HN 0.428 nan 8.190 nan 0.000 0.439 206 V N 5.134 125.070 119.914 0.037 0.000 2.637 206 V HA 0.182 4.303 4.120 0.001 0.000 0.296 206 V C 1.077 177.199 176.094 0.046 0.000 1.046 206 V CA 0.208 62.548 62.300 0.067 0.000 1.066 206 V CB 1.188 33.060 31.823 0.083 0.000 0.968 206 V HN 0.964 nan 8.190 nan 0.000 0.483 207 E N 2.634 122.870 120.200 0.060 0.000 2.290 207 E HA 0.479 4.829 4.350 0.001 0.000 0.199 207 E C 0.339 176.964 176.600 0.042 0.000 0.912 207 E CA 0.706 57.132 56.400 0.043 0.000 0.924 207 E CB 1.008 30.737 29.700 0.049 0.000 0.901 207 E HN 0.791 nan 8.360 nan 0.000 0.487 208 A N 1.020 123.885 122.820 0.076 0.000 2.608 208 A HA 0.507 4.827 4.320 0.001 0.000 0.292 208 A C -1.825 175.840 177.584 0.135 0.000 1.066 208 A CA -0.898 51.175 52.037 0.059 0.000 0.676 208 A CB 0.962 20.017 19.000 0.091 0.000 1.277 208 A HN 0.321 nan 8.150 nan 0.000 0.413 209 H N -0.438 118.681 119.070 0.080 0.000 2.771 209 H HA 0.890 5.446 4.556 0.001 0.000 0.361 209 H C -0.888 174.461 175.328 0.035 0.000 1.108 209 H CA -0.336 55.731 56.048 0.031 0.000 1.201 209 H CB 0.986 30.745 29.762 -0.005 0.000 1.681 209 H HN 1.197 nan 8.280 nan 0.000 0.534 210 H N -0.637 118.521 119.070 0.146 0.000 3.014 210 H HA 0.328 4.885 4.556 0.001 0.000 0.337 210 H C -1.237 174.124 175.328 0.055 0.000 1.320 210 H CA -1.136 54.940 56.048 0.046 0.000 1.128 210 H CB 0.787 30.519 29.762 -0.051 0.000 1.862 210 H HN 0.814 nan 8.280 nan 0.000 0.536 211 H N 1.210 120.319 119.070 0.065 0.000 2.732 211 H HA 0.179 4.735 4.556 0.001 0.000 0.351 211 H C -0.171 175.231 175.328 0.123 0.000 1.090 211 H CA 0.353 56.397 56.048 -0.007 0.000 1.431 211 H CB 0.958 30.729 29.762 0.014 0.000 1.447 211 H HN 0.696 nan 8.280 nan 0.000 0.582 212 E N 2.451 122.793 120.200 0.236 0.000 2.700 212 E HA 0.077 4.427 4.350 0.001 0.000 0.253 212 E C 1.374 178.221 176.600 0.411 0.000 1.175 212 E CA -0.707 55.883 56.400 0.316 0.000 1.010 212 E CB 1.279 30.973 29.700 -0.010 0.000 1.284 212 E HN 0.419 nan 8.360 nan 0.000 0.557 213 V N 0.739 120.834 119.914 0.301 0.000 2.407 213 V HA -0.152 3.968 4.120 0.001 0.000 0.248 213 V C 0.966 177.166 176.094 0.177 0.000 1.055 213 V CA 1.680 64.105 62.300 0.209 0.000 1.049 213 V CB -0.475 31.387 31.823 0.065 0.000 0.662 213 V HN 0.606 nan 8.190 nan 0.000 0.455 214 A N -0.108 122.824 122.820 0.187 0.000 2.425 214 A HA 0.371 4.691 4.320 0.001 0.000 0.249 214 A C 0.709 178.478 177.584 0.309 0.000 1.084 214 A CA 0.550 52.748 52.037 0.268 0.000 0.781 214 A CB 0.178 19.438 19.000 0.433 0.000 1.019 214 A HN 0.324 nan 8.150 nan 0.000 0.490 215 T N 0.861 115.575 114.554 0.267 0.000 2.640 215 T HA 0.356 4.707 4.350 0.001 0.000 0.316 215 T C 1.120 175.998 174.700 0.296 0.000 1.036 215 T CA 1.248 63.472 62.100 0.208 0.000 1.009 215 T CB -0.058 68.886 68.868 0.127 0.000 1.017 215 T HN 2.380 nan 8.240 nan 0.000 0.530 216 A N -0.025 122.882 122.820 0.144 0.000 2.822 216 A HA 0.091 4.411 4.320 0.001 0.000 0.287 216 A C 1.407 179.279 177.584 0.481 0.000 1.479 216 A CA 1.402 53.584 52.037 0.241 0.000 0.779 216 A CB -2.294 16.910 19.000 0.339 0.000 1.022 216 A HN 2.644 nan 8.150 nan 0.000 0.532 217 G N -2.007 106.963 108.800 0.284 0.000 2.204 217 G HA2 -0.160 3.800 3.960 0.001 0.000 0.244 217 G HA3 -0.160 3.800 3.960 0.001 0.000 0.244 217 G C -0.178 174.553 174.900 -0.282 0.000 1.062 217 G CA 0.788 45.910 45.100 0.037 0.000 0.798 217 G HN 1.539 nan 8.290 nan 0.000 0.496 218 Q N -0.361 119.179 119.800 -0.434 0.000 2.286 218 Q HA 0.523 4.864 4.340 0.001 0.000 0.257 218 Q C 0.247 175.691 176.000 -0.927 0.000 0.941 218 Q CA 0.001 55.221 55.803 -0.972 0.000 0.912 218 Q CB 0.386 28.621 28.738 -0.839 0.000 1.192 218 Q HN 0.583 nan 8.270 nan 0.000 0.410 219 N N 1.904 119.933 118.700 -1.119 0.000 2.455 219 N HA 0.388 5.129 4.740 0.001 0.000 0.278 219 N C -1.873 172.989 175.510 -1.080 0.000 1.291 219 N CA -0.737 51.638 53.050 -1.126 0.000 0.780 219 N CB 1.994 39.701 38.487 -1.301 0.000 1.520 219 N HN 0.455 nan 8.380 nan 0.000 0.486 220 E N 0.769 120.564 120.200 -0.674 0.000 2.291 220 E HA 0.376 4.727 4.350 0.001 0.000 0.276 220 E C -1.841 174.712 176.600 -0.078 0.000 0.896 220 E CA -0.533 55.676 56.400 -0.318 0.000 0.774 220 E CB 1.579 31.035 29.700 -0.406 0.000 1.227 220 E HN 0.222 nan 8.360 nan 0.000 0.413 221 V N 3.228 123.318 119.914 0.293 0.000 2.328 221 V HA 0.527 4.647 4.120 0.001 0.000 0.278 221 V C 0.148 176.451 176.094 0.347 0.000 1.021 221 V CA -0.555 61.933 62.300 0.313 0.000 0.838 221 V CB 1.017 33.023 31.823 0.305 0.000 0.999 221 V HN 0.759 nan 8.190 nan 0.000 0.447 222 A N 3.834 126.791 122.820 0.228 0.000 2.366 222 A HA 0.682 5.002 4.320 0.001 0.000 0.272 222 A C 0.235 177.916 177.584 0.162 0.000 1.135 222 A CA -0.053 52.093 52.037 0.182 0.000 0.804 222 A CB 0.717 19.819 19.000 0.171 0.000 1.064 222 A HN 0.678 nan 8.150 nan 0.000 0.499 223 T N 1.821 116.449 114.554 0.124 0.000 2.886 223 T HA 0.386 4.736 4.350 0.001 0.000 0.292 223 T C 0.033 174.763 174.700 0.051 0.000 1.012 223 T CA -0.590 61.571 62.100 0.101 0.000 0.982 223 T CB 0.643 69.601 68.868 0.150 0.000 1.018 223 T HN 0.780 nan 8.240 nan 0.000 0.451 224 R N 3.316 123.817 120.500 0.000 0.000 2.585 224 R HA 0.198 4.538 4.340 0.001 0.000 0.275 224 R C 0.422 176.648 176.300 -0.124 0.000 1.018 224 R CA -0.240 55.810 56.100 -0.084 0.000 1.072 224 R CB 0.087 30.258 30.300 -0.216 0.000 0.953 224 R HN 0.608 nan 8.270 nan 0.000 0.419 225 F N 2.557 122.494 119.950 -0.022 0.000 2.646 225 F HA 0.144 4.671 4.527 0.001 0.000 0.321 225 F C 0.104 175.898 175.800 -0.010 0.000 1.241 225 F CA -0.348 57.636 58.000 -0.026 0.000 1.365 225 F CB 0.213 39.176 39.000 -0.062 0.000 1.143 225 F HN 0.444 nan 8.300 nan 0.000 0.601 226 N N -1.759 117.123 118.700 0.303 0.000 3.179 226 N HA 0.192 4.932 4.740 0.001 0.000 0.250 226 N C -1.534 174.121 175.510 0.242 0.000 1.507 226 N CA 0.009 53.181 53.050 0.204 0.000 0.883 226 N CB 1.873 40.401 38.487 0.070 0.000 1.435 226 N HN 0.954 nan 8.380 nan 0.000 0.532 227 T N -0.995 113.661 114.554 0.170 0.000 2.918 227 T HA 0.159 4.510 4.350 0.001 0.000 0.302 227 T C 1.859 176.653 174.700 0.156 0.000 1.045 227 T CA -0.145 62.048 62.100 0.157 0.000 1.114 227 T CB 0.669 69.607 68.868 0.116 0.000 0.965 227 T HN 0.560 nan 8.240 nan 0.000 0.540 228 M N 1.953 121.671 119.600 0.196 0.000 2.706 228 M HA -0.237 4.244 4.480 0.001 0.000 0.266 228 M C 2.222 178.578 176.300 0.093 0.000 1.060 228 M CA 2.838 58.186 55.300 0.081 0.000 1.070 228 M CB -1.110 31.559 32.600 0.117 0.000 1.241 228 M HN 0.911 nan 8.290 nan 0.000 0.488 229 T N 0.278 114.914 114.554 0.137 0.000 2.803 229 T HA -0.180 4.170 4.350 0.001 0.000 0.269 229 T C 1.802 176.605 174.700 0.172 0.000 1.052 229 T CA 1.402 63.618 62.100 0.194 0.000 1.136 229 T CB -0.293 68.682 68.868 0.180 0.000 0.864 229 T HN 0.362 nan 8.240 nan 0.000 0.467 230 K N 0.790 121.265 120.400 0.125 0.000 2.103 230 K HA -0.052 4.269 4.320 0.001 0.000 0.204 230 K C 2.357 179.010 176.600 0.088 0.000 1.052 230 K CA 1.029 57.377 56.287 0.103 0.000 0.945 230 K CB -0.075 32.472 32.500 0.079 0.000 0.722 230 K HN 0.060 nan 8.250 nan 0.000 0.443 231 K N 0.913 121.368 120.400 0.092 0.000 2.057 231 K HA -0.012 4.309 4.320 0.001 0.000 0.206 231 K C 1.755 178.424 176.600 0.115 0.000 1.050 231 K CA 1.425 57.770 56.287 0.096 0.000 0.935 231 K CB -0.411 32.139 32.500 0.084 0.000 0.715 231 K HN 0.150 nan 8.250 nan 0.000 0.439 232 A N 1.257 124.134 122.820 0.094 0.000 1.908 232 A HA -0.200 4.121 4.320 0.001 0.000 0.218 232 A C 1.644 179.008 177.584 -0.366 0.000 1.181 232 A CA 2.141 54.016 52.037 -0.271 0.000 0.627 232 A CB -0.722 17.910 19.000 -0.613 0.000 0.818 232 A HN 0.445 nan 8.150 nan 0.000 0.445 233 D N -0.093 120.265 120.400 -0.071 0.000 2.144 233 D HA -0.139 4.502 4.640 0.001 0.000 0.199 233 D C 1.777 178.094 176.300 0.028 0.000 0.984 233 D CA 1.371 55.407 54.000 0.060 0.000 0.834 233 D CB -0.558 40.329 40.800 0.144 0.000 0.955 233 D HN 0.654 nan 8.370 nan 0.000 0.465 234 E N 0.182 120.403 120.200 0.035 0.000 2.153 234 E HA -0.129 4.222 4.350 0.001 0.000 0.194 234 E C 2.057 178.689 176.600 0.054 0.000 0.988 234 E CA 0.300 56.732 56.400 0.054 0.000 0.811 234 E CB 0.117 29.851 29.700 0.057 0.000 0.746 234 E HN 0.226 nan 8.360 nan 0.000 0.466 235 I N 1.399 121.959 120.570 -0.016 0.000 2.252 235 I HA -0.226 3.944 4.170 0.001 0.000 0.245 235 I C 2.351 178.434 176.117 -0.057 0.000 1.102 235 I CA 1.254 62.509 61.300 -0.075 0.000 1.385 235 I CB -1.008 36.890 38.000 -0.170 0.000 1.064 235 I HN 0.132 nan 8.210 nan 0.000 0.414 236 Q N 0.278 120.037 119.800 -0.069 0.000 2.124 236 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 236 Q C 2.388 178.417 176.000 0.048 0.000 0.977 236 Q CA 1.423 57.214 55.803 -0.020 0.000 0.850 236 Q CB -0.249 28.499 28.738 0.016 0.000 0.901 236 Q HN 0.515 nan 8.270 nan 0.000 0.429 237 I N -0.341 120.275 120.570 0.075 0.000 2.252 237 I HA -0.274 3.896 4.170 0.001 0.000 0.245 237 I C 2.299 178.513 176.117 0.161 0.000 1.102 237 I CA 0.928 62.305 61.300 0.128 0.000 1.385 237 I CB -0.386 37.672 38.000 0.097 0.000 1.064 237 I HN 0.099 nan 8.210 nan 0.000 0.414 238 Y N 2.256 122.553 120.300 -0.006 0.000 2.053 238 Y HA -0.352 4.199 4.550 0.001 0.000 0.277 238 Y C 2.548 178.393 175.900 -0.092 0.000 1.159 238 Y CA 1.869 59.945 58.100 -0.039 0.000 1.125 238 Y CB -0.201 38.224 38.460 -0.059 0.000 0.969 238 Y HN -0.039 nan 8.280 nan 0.000 0.492 239 K N -1.211 119.216 120.400 0.045 0.000 2.063 239 K HA -0.271 4.049 4.320 0.001 0.000 0.208 239 K C 2.028 178.580 176.600 -0.080 0.000 1.048 239 K CA 1.861 58.019 56.287 -0.215 0.000 0.928 239 K CB -0.675 31.583 32.500 -0.403 0.000 0.713 239 K HN 0.452 nan 8.250 nan 0.000 0.442 240 Y N 1.565 121.829 120.300 -0.060 0.000 2.200 240 Y HA -0.224 4.326 4.550 0.001 0.000 0.290 240 Y C 2.015 177.911 175.900 -0.006 0.000 1.137 240 Y CA 1.007 59.113 58.100 0.009 0.000 1.163 240 Y CB -0.297 38.180 38.460 0.027 0.000 0.988 240 Y HN -0.251 nan 8.280 nan 0.000 0.518 241 V N -1.018 118.882 119.914 -0.023 0.000 2.307 241 V HA -0.290 3.830 4.120 0.001 0.000 0.245 241 V C 2.398 178.344 176.094 -0.247 0.000 1.045 241 V CA 1.709 63.980 62.300 -0.049 0.000 1.024 241 V CB -0.901 30.922 31.823 0.001 0.000 0.651 241 V HN 0.320 nan 8.190 nan 0.000 0.449 242 V N -0.240 119.437 119.914 -0.395 0.000 2.287 242 V HA -0.345 3.775 4.120 0.001 0.000 0.248 242 V C 2.256 178.117 176.094 -0.389 0.000 1.053 242 V CA 2.535 64.491 62.300 -0.573 0.000 1.027 242 V CB -0.873 30.431 31.823 -0.864 0.000 0.646 242 V HN 0.670 nan 8.190 nan 0.000 0.447 243 H N -0.320 118.614 119.070 -0.228 0.000 2.319 243 H HA -0.157 4.399 4.556 0.001 0.000 0.299 243 H C 2.273 177.415 175.328 -0.310 0.000 1.092 243 H CA 1.920 57.849 56.048 -0.198 0.000 1.302 243 H CB 0.018 29.719 29.762 -0.101 0.000 1.373 243 H HN 0.452 nan 8.280 nan 0.000 0.497 244 N N -0.492 117.936 118.700 -0.453 0.000 2.333 244 N HA -0.077 4.664 4.740 0.001 0.000 0.178 244 N C 1.749 176.919 175.510 -0.566 0.000 1.018 244 N CA 0.495 53.089 53.050 -0.760 0.000 0.882 244 N CB 0.255 37.724 38.487 -1.697 0.000 0.984 244 N HN 0.021 nan 8.380 nan 0.000 0.434 245 V N 0.983 120.688 119.914 -0.347 0.000 2.358 245 V HA -0.170 3.951 4.120 0.001 0.000 0.246 245 V C 2.287 178.438 176.094 0.096 0.000 1.047 245 V CA 1.798 64.100 62.300 0.003 0.000 1.035 245 V CB -0.919 30.925 31.823 0.035 0.000 0.658 245 V HN 0.330 nan 8.190 nan 0.000 0.452 246 A N -0.820 121.978 122.820 -0.038 0.000 1.892 246 A HA -0.333 3.987 4.320 0.001 0.000 0.218 246 A C 2.253 179.895 177.584 0.096 0.000 1.188 246 A CA 2.244 54.289 52.037 0.013 0.000 0.631 246 A CB -0.975 18.001 19.000 -0.040 0.000 0.822 246 A HN 0.696 nan 8.150 nan 0.000 0.447 247 H N -0.237 118.808 119.070 -0.042 0.000 2.352 247 H HA -0.074 4.482 4.556 0.001 0.000 0.299 247 H C 2.291 177.609 175.328 -0.017 0.000 1.097 247 H CA 1.854 57.875 56.048 -0.045 0.000 1.311 247 H CB -0.034 29.653 29.762 -0.125 0.000 1.377 247 H HN 0.463 nan 8.280 nan 0.000 0.504 248 R N -0.584 119.957 120.500 0.068 0.000 2.120 248 R HA -0.128 4.212 4.340 0.001 0.000 0.234 248 R C 1.970 178.202 176.300 -0.113 0.000 1.123 248 R CA 1.124 57.220 56.100 -0.007 0.000 0.975 248 R CB -0.262 30.058 30.300 0.033 0.000 0.866 248 R HN 0.246 nan 8.270 nan 0.000 0.446 249 F N -0.195 119.716 119.950 -0.066 0.000 2.811 249 F HA 0.140 4.668 4.527 0.001 0.000 0.301 249 F C 1.637 177.393 175.800 -0.072 0.000 1.151 249 F CA 0.926 58.891 58.000 -0.057 0.000 1.412 249 F CB 0.354 39.327 39.000 -0.044 0.000 1.113 249 F HN 0.240 nan 8.300 nan 0.000 0.579 250 G N 0.010 108.808 108.800 -0.004 0.000 2.159 250 G HA2 -0.255 3.706 3.960 0.001 0.000 0.256 250 G HA3 -0.255 3.706 3.960 0.001 0.000 0.256 250 G C 0.623 175.522 174.900 -0.002 0.000 0.977 250 G CA -0.132 44.936 45.100 -0.054 0.000 0.652 250 G HN 0.223 nan 8.290 nan 0.000 0.531 251 K N -0.199 120.227 120.400 0.044 0.000 2.177 251 K HA 0.689 5.010 4.320 0.001 0.000 0.238 251 K C -0.325 176.316 176.600 0.068 0.000 1.015 251 K CA -0.096 56.233 56.287 0.070 0.000 0.922 251 K CB 1.524 34.068 32.500 0.073 0.000 1.127 251 K HN 0.157 nan 8.250 nan 0.000 0.469 252 T N -0.243 114.378 114.554 0.111 0.000 2.841 252 T HA 0.581 4.932 4.350 0.001 0.000 0.285 252 T C -1.275 173.476 174.700 0.085 0.000 0.991 252 T CA -0.573 61.605 62.100 0.129 0.000 0.966 252 T CB 0.896 69.872 68.868 0.180 0.000 0.962 252 T HN 0.569 nan 8.240 nan 0.000 0.438 253 A N 3.428 126.287 122.820 0.065 0.000 2.312 253 A HA 0.819 5.139 4.320 0.001 0.000 0.328 253 A C 0.137 177.736 177.584 0.025 0.000 1.158 253 A CA -0.677 51.342 52.037 -0.030 0.000 0.821 253 A CB 1.560 20.464 19.000 -0.161 0.000 1.170 253 A HN 0.814 nan 8.150 nan 0.000 0.490 254 T N 0.466 114.946 114.554 -0.123 0.000 2.916 254 T HA 0.546 4.896 4.350 0.001 0.000 0.298 254 T C -0.870 173.743 174.700 -0.144 0.000 1.031 254 T CA -0.274 61.827 62.100 0.000 0.000 0.993 254 T CB 0.298 69.241 68.868 0.126 0.000 1.045 254 T HN 0.358 nan 8.240 nan 0.000 0.454 255 F N 3.745 123.842 119.950 0.246 0.000 2.660 255 F HA 0.347 4.875 4.527 0.001 0.000 0.302 255 F C 1.239 177.160 175.800 0.203 0.000 1.103 255 F CA -0.593 57.535 58.000 0.214 0.000 1.340 255 F CB -0.053 39.043 39.000 0.160 0.000 1.048 255 F HN 0.509 nan 8.300 nan 0.000 0.551 256 M N -0.131 119.649 119.600 0.301 0.000 2.238 256 M HA 0.298 4.778 4.480 0.001 0.000 0.347 256 M C -2.011 174.434 176.300 0.241 0.000 1.173 256 M CA -1.495 53.946 55.300 0.235 0.000 1.147 256 M CB 0.682 33.380 32.600 0.165 0.000 1.547 256 M HN -0.234 nan 8.290 nan 0.000 0.455 257 P HA -0.082 nan 4.420 nan 0.000 0.215 257 P C -0.258 177.168 177.300 0.210 0.000 1.153 257 P CA 1.581 64.797 63.100 0.194 0.000 0.853 257 P CB 0.138 31.913 31.700 0.126 0.000 0.788 258 K N -1.013 119.489 120.400 0.171 0.000 2.827 258 K HA 0.220 4.541 4.320 0.001 0.000 0.186 258 K C -2.235 174.426 176.600 0.102 0.000 1.093 258 K CA -1.938 54.442 56.287 0.154 0.000 0.993 258 K CB 0.427 33.013 32.500 0.142 0.000 1.199 258 K HN -0.089 nan 8.250 nan 0.000 0.598 259 P HA 0.014 nan 4.420 nan 0.000 0.224 259 P C -0.223 177.053 177.300 -0.040 0.000 1.157 259 P CA 0.509 63.605 63.100 -0.005 0.000 0.799 259 P CB 0.489 32.195 31.700 0.009 0.000 0.809 260 M N -0.446 119.132 119.600 -0.036 0.000 2.253 260 M HA 0.333 4.813 4.480 0.001 0.000 0.314 260 M C -0.624 175.741 176.300 0.108 0.000 1.019 260 M CA -1.145 54.162 55.300 0.012 0.000 0.932 260 M CB 2.464 35.065 32.600 0.001 0.000 1.606 260 M HN -0.258 nan 8.290 nan 0.000 0.430 261 F N 2.388 122.343 119.950 0.008 0.000 2.443 261 F HA 0.535 5.063 4.527 0.001 0.000 0.353 261 F C 1.072 176.900 175.800 0.047 0.000 1.101 261 F CA 1.392 59.413 58.000 0.035 0.000 1.226 261 F CB 0.814 39.829 39.000 0.026 0.000 1.140 261 F HN 0.825 nan 8.300 nan 0.000 0.557 262 G N 2.953 111.252 108.800 -0.835 0.000 2.176 262 G HA2 -0.188 3.772 3.960 0.001 0.000 0.232 262 G HA3 -0.188 3.772 3.960 0.001 0.000 0.232 262 G C -0.609 174.184 174.900 -0.178 0.000 0.986 262 G CA 0.104 44.873 45.100 -0.553 0.000 0.643 262 G HN 0.866 nan 8.290 nan 0.000 0.522 263 D N -0.716 119.633 120.400 -0.085 0.000 2.643 263 D HA 0.302 4.943 4.640 0.001 0.000 0.283 263 D C -0.189 176.173 176.300 0.103 0.000 1.242 263 D CA -0.611 53.420 54.000 0.051 0.000 0.863 263 D CB 0.519 41.413 40.800 0.157 0.000 1.382 263 D HN 0.040 nan 8.370 nan 0.000 0.444 264 N N -0.551 118.245 118.700 0.160 0.000 2.292 264 N HA 0.217 4.958 4.740 0.001 0.000 0.242 264 N C -0.059 175.630 175.510 0.299 0.000 1.243 264 N CA 0.666 53.827 53.050 0.185 0.000 0.851 264 N CB 0.433 39.014 38.487 0.158 0.000 1.093 264 N HN 0.365 nan 8.380 nan 0.000 0.450 265 G N 0.256 109.196 108.800 0.233 0.000 2.461 265 G HA2 0.312 4.272 3.960 0.001 0.000 0.329 265 G HA3 0.312 4.272 3.960 0.001 0.000 0.329 265 G C -0.979 174.071 174.900 0.250 0.000 1.170 265 G CA -0.448 44.822 45.100 0.284 0.000 0.935 265 G HN 0.464 nan 8.290 nan 0.000 0.492 266 S N -0.336 115.536 115.700 0.286 0.000 2.411 266 S HA 0.584 5.054 4.470 0.001 0.000 0.294 266 S C 0.602 175.324 174.600 0.203 0.000 1.115 266 S CA -0.379 57.937 58.200 0.194 0.000 1.071 266 S CB 1.021 64.358 63.200 0.228 0.000 0.967 266 S HN 0.905 nan 8.310 nan 0.000 0.488 267 G N 1.988 110.904 108.800 0.193 0.000 2.441 267 G HA2 0.617 4.577 3.960 0.001 0.000 0.334 267 G HA3 0.617 4.577 3.960 0.001 0.000 0.334 267 G C -0.758 174.293 174.900 0.250 0.000 1.161 267 G CA -0.703 44.538 45.100 0.235 0.000 0.935 267 G HN 0.623 nan 8.290 nan 0.000 0.488 268 M N 2.419 122.173 119.600 0.257 0.000 2.065 268 M HA 0.278 4.759 4.480 0.001 0.000 0.308 268 M C -0.769 175.696 176.300 0.275 0.000 0.939 268 M CA -0.480 54.954 55.300 0.222 0.000 0.890 268 M CB 0.036 32.730 32.600 0.157 0.000 1.383 268 M HN 0.664 nan 8.290 nan 0.000 0.381 269 H N 2.201 121.302 119.070 0.052 0.000 2.803 269 H HA 0.160 4.716 4.556 0.001 0.000 0.330 269 H C -0.385 174.945 175.328 0.004 0.000 1.057 269 H CA -0.611 55.431 56.048 -0.011 0.000 1.458 269 H CB 0.851 30.572 29.762 -0.068 0.000 1.470 269 H HN 0.618 nan 8.280 nan 0.000 0.560 270 C N 5.231 124.582 119.300 0.085 0.000 2.246 270 C HA 0.099 4.559 4.460 0.001 0.000 0.329 270 C C 0.692 175.652 174.990 -0.051 0.000 1.221 270 C CA -0.722 58.349 59.018 0.088 0.000 1.697 270 C CB -1.112 26.740 27.740 0.187 0.000 2.312 270 C HN 0.766 nan 8.230 nan 0.000 0.509 271 H N 3.719 122.768 119.070 -0.036 0.000 2.767 271 H HA 0.323 4.880 4.556 0.001 0.000 0.316 271 H C -0.102 175.041 175.328 -0.308 0.000 1.059 271 H CA 0.663 56.641 56.048 -0.117 0.000 1.461 271 H CB 0.724 30.434 29.762 -0.087 0.000 1.475 271 H HN 0.582 nan 8.280 nan 0.000 0.531 272 M N 1.610 121.066 119.600 -0.240 0.000 2.530 272 M HA 0.314 4.794 4.480 0.001 0.000 0.307 272 M C -0.232 175.742 176.300 -0.543 0.000 1.161 272 M CA -0.504 54.461 55.300 -0.558 0.000 0.903 272 M CB 2.524 34.745 32.600 -0.631 0.000 1.711 272 M HN 0.389 nan 8.290 nan 0.000 0.451 273 S N 1.652 116.859 115.700 -0.823 0.000 2.550 273 S HA 0.752 5.222 4.470 0.001 0.000 0.270 273 S C -1.845 172.056 174.600 -1.165 0.000 1.145 273 S CA -0.720 56.761 58.200 -1.198 0.000 0.852 273 S CB 1.344 64.091 63.200 -0.756 0.000 1.119 273 S HN 0.672 nan 8.310 nan 0.000 0.465 274 L N 2.549 122.874 121.223 -1.496 0.000 2.334 274 L HA 0.905 5.246 4.340 0.001 0.000 0.276 274 L C -0.225 176.401 176.870 -0.408 0.000 1.014 274 L CA -0.679 53.723 54.840 -0.731 0.000 0.815 274 L CB 1.831 43.585 42.059 -0.509 0.000 1.268 274 L HN 0.796 nan 8.230 nan 0.000 0.428 275 A N 3.038 125.722 122.820 -0.226 0.000 2.398 275 A HA 0.676 4.997 4.320 0.001 0.000 0.301 275 A C -1.190 176.355 177.584 -0.065 0.000 1.041 275 A CA -0.625 51.330 52.037 -0.136 0.000 0.711 275 A CB 1.755 20.674 19.000 -0.135 0.000 1.240 275 A HN 0.594 nan 8.150 nan 0.000 0.420 276 K N 1.927 122.303 120.400 -0.040 0.000 2.207 276 K HA 0.425 4.745 4.320 0.001 0.000 0.255 276 K C -0.083 176.508 176.600 -0.016 0.000 0.941 276 K CA -0.472 55.805 56.287 -0.017 0.000 0.825 276 K CB 0.606 33.105 32.500 -0.002 0.000 1.119 276 K HN 0.610 nan 8.250 nan 0.000 0.430 277 N N 3.036 121.730 118.700 -0.010 0.000 2.745 277 N HA -0.243 4.498 4.740 0.001 0.000 0.271 277 N C 0.352 175.855 175.510 -0.012 0.000 0.960 277 N CA 1.604 54.649 53.050 -0.008 0.000 0.833 277 N CB -1.199 37.285 38.487 -0.004 0.000 0.919 277 N HN 1.017 nan 8.380 nan 0.000 0.566 278 G N -1.265 107.526 108.800 -0.016 0.000 2.166 278 G HA2 -0.334 3.626 3.960 0.001 0.000 0.260 278 G HA3 -0.334 3.626 3.960 0.001 0.000 0.260 278 G C 0.218 175.101 174.900 -0.028 0.000 0.986 278 G CA 1.004 46.093 45.100 -0.018 0.000 0.683 278 G HN 1.004 nan 8.290 nan 0.000 0.527 279 T N -2.406 112.127 114.554 -0.034 0.000 2.861 279 T HA 0.574 4.924 4.350 0.001 0.000 0.287 279 T C -0.377 174.288 174.700 -0.058 0.000 1.003 279 T CA -0.616 61.461 62.100 -0.039 0.000 0.977 279 T CB 2.052 70.907 68.868 -0.023 0.000 0.996 279 T HN 0.221 nan 8.240 nan 0.000 0.448 280 N N 2.368 121.027 118.700 -0.068 0.000 2.421 280 N HA 0.096 4.837 4.740 0.001 0.000 0.260 280 N C 0.818 176.310 175.510 -0.029 0.000 1.173 280 N CA -0.867 52.128 53.050 -0.092 0.000 0.960 280 N CB -0.216 38.207 38.487 -0.106 0.000 1.273 280 N HN 0.560 nan 8.380 nan 0.000 0.497 281 L N 2.950 124.164 121.223 -0.014 0.000 2.263 281 L HA -0.121 4.220 4.340 0.001 0.000 0.216 281 L C 1.391 178.408 176.870 0.246 0.000 1.111 281 L CA 1.168 56.064 54.840 0.093 0.000 0.773 281 L CB -0.589 41.545 42.059 0.124 0.000 0.906 281 L HN 0.507 nan 8.230 nan 0.000 0.439 282 F N -1.606 118.262 119.950 -0.137 0.000 2.512 282 F HA 0.131 4.659 4.527 0.001 0.000 0.296 282 F C 1.821 177.547 175.800 -0.122 0.000 1.110 282 F CA -0.328 57.581 58.000 -0.152 0.000 1.446 282 F CB -0.749 38.127 39.000 -0.206 0.000 1.092 282 F HN -0.110 nan 8.300 nan 0.000 0.554 283 S N -0.689 115.057 115.700 0.078 0.000 2.603 283 S HA 0.576 5.046 4.470 0.001 0.000 0.268 283 S C 0.386 174.981 174.600 -0.008 0.000 1.317 283 S CA 0.397 58.602 58.200 0.008 0.000 1.012 283 S CB 0.653 63.846 63.200 -0.012 0.000 0.926 283 S HN 0.533 nan 8.310 nan 0.000 0.539 284 G N 2.822 111.607 108.800 -0.024 0.000 2.367 284 G HA2 0.181 4.141 3.960 0.001 0.000 0.272 284 G HA3 0.181 4.141 3.960 0.001 0.000 0.272 284 G C -0.792 174.091 174.900 -0.029 0.000 1.271 284 G CA 0.141 45.226 45.100 -0.025 0.000 0.893 284 G HN 0.637 nan 8.290 nan 0.000 0.485 285 D N 0.357 120.743 120.400 -0.024 0.000 2.173 285 D HA 0.226 4.866 4.640 0.001 0.000 0.296 285 D C 0.645 176.937 176.300 -0.012 0.000 1.140 285 D CA 0.444 54.435 54.000 -0.016 0.000 0.952 285 D CB -0.549 40.247 40.800 -0.006 0.000 1.021 285 D HN 0.661 nan 8.370 nan 0.000 0.344 286 K N -1.432 118.973 120.400 0.008 0.000 2.238 286 K HA -0.310 4.011 4.320 0.001 0.000 0.375 286 K C 0.108 176.764 176.600 0.094 0.000 1.602 286 K CA 0.595 56.908 56.287 0.043 0.000 0.888 286 K CB -1.838 30.666 32.500 0.006 0.000 1.136 286 K HN 0.601 nan 8.250 nan 0.000 0.859 287 Y N 1.290 121.600 120.300 0.016 0.000 2.802 287 Y HA 0.119 4.669 4.550 0.001 0.000 0.333 287 Y C 1.025 176.939 175.900 0.022 0.000 1.244 287 Y CA 1.033 59.160 58.100 0.045 0.000 1.558 287 Y CB -0.432 38.109 38.460 0.136 0.000 1.233 287 Y HN 0.679 nan 8.280 nan 0.000 0.547 288 A N 4.519 127.036 122.820 -0.506 0.000 2.640 288 A HA -0.068 4.253 4.320 0.001 0.000 0.300 288 A C 1.651 179.099 177.584 -0.226 0.000 1.499 288 A CA 1.559 53.313 52.037 -0.472 0.000 0.759 288 A CB -2.090 16.430 19.000 -0.800 0.000 1.048 288 A HN 2.504 nan 8.150 nan 0.000 0.450 289 G N -2.774 105.947 108.800 -0.132 0.000 2.179 289 G HA2 -0.227 3.734 3.960 0.001 0.000 0.260 289 G HA3 -0.227 3.734 3.960 0.001 0.000 0.260 289 G C 0.158 175.016 174.900 -0.071 0.000 0.977 289 G CA 0.444 45.495 45.100 -0.083 0.000 0.641 289 G HN 1.397 nan 8.290 nan 0.000 0.533 290 L N 1.697 122.871 121.223 -0.080 0.000 2.395 290 L HA 0.541 4.881 4.340 0.001 0.000 0.269 290 L C 1.482 178.291 176.870 -0.103 0.000 1.133 290 L CA -0.056 54.725 54.840 -0.098 0.000 0.812 290 L CB 1.330 43.314 42.059 -0.125 0.000 1.125 290 L HN 0.430 nan 8.230 nan 0.000 0.452 291 S N 0.323 115.946 115.700 -0.129 0.000 2.624 291 S HA 0.065 4.536 4.470 0.001 0.000 0.263 291 S C 0.751 175.218 174.600 -0.222 0.000 1.287 291 S CA -0.523 57.601 58.200 -0.128 0.000 0.990 291 S CB 1.505 64.655 63.200 -0.083 0.000 0.950 291 S HN 0.661 nan 8.310 nan 0.000 0.561 292 E N 0.355 120.427 120.200 -0.212 0.000 2.204 292 E HA -0.143 4.208 4.350 0.001 0.000 0.195 292 E C 2.030 178.268 176.600 -0.603 0.000 0.990 292 E CA 1.401 57.565 56.400 -0.394 0.000 0.821 292 E CB -0.362 29.207 29.700 -0.217 0.000 0.750 292 E HN 0.774 nan 8.360 nan 0.000 0.477 293 Q N -0.180 119.459 119.800 -0.268 0.000 2.050 293 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 293 Q C 1.995 177.854 176.000 -0.234 0.000 0.980 293 Q CA 2.183 57.924 55.803 -0.105 0.000 0.840 293 Q CB -0.528 28.221 28.738 0.018 0.000 0.898 293 Q HN 0.331 nan 8.270 nan 0.000 0.424 294 A N -0.263 122.272 122.820 -0.474 0.000 1.877 294 A HA -0.150 4.171 4.320 0.001 0.000 0.216 294 A C 1.960 179.167 177.584 -0.629 0.000 1.186 294 A CA 1.371 52.846 52.037 -0.936 0.000 0.620 294 A CB -0.764 17.658 19.000 -0.963 0.000 0.822 294 A HN 0.424 nan 8.150 nan 0.000 0.443 295 L N -1.308 119.568 121.223 -0.578 0.000 2.042 295 L HA -0.182 4.159 4.340 0.001 0.000 0.210 295 L C 2.403 179.003 176.870 -0.449 0.000 1.076 295 L CA 1.668 56.137 54.840 -0.619 0.000 0.749 295 L CB -1.012 40.634 42.059 -0.690 0.000 0.893 295 L HN 0.518 nan 8.230 nan 0.000 0.432 296 Y N -2.665 117.510 120.300 -0.208 0.000 2.293 296 Y HA -0.241 4.309 4.550 0.001 0.000 0.291 296 Y C 2.467 178.321 175.900 -0.076 0.000 1.137 296 Y CA 0.492 58.520 58.100 -0.120 0.000 1.202 296 Y CB -1.253 37.184 38.460 -0.039 0.000 0.990 296 Y HN 0.168 nan 8.280 nan 0.000 0.537 297 Y N 0.285 120.542 120.300 -0.071 0.000 2.097 297 Y HA -0.259 4.291 4.550 0.001 0.000 0.282 297 Y C 2.323 178.173 175.900 -0.083 0.000 1.152 297 Y CA 1.629 59.696 58.100 -0.054 0.000 1.136 297 Y CB -0.568 37.811 38.460 -0.135 0.000 0.975 297 Y HN 0.005 nan 8.280 nan 0.000 0.498 298 I N -0.463 120.106 120.570 -0.002 0.000 2.151 298 I HA -0.352 3.819 4.170 0.001 0.000 0.243 298 I C 2.658 178.726 176.117 -0.081 0.000 1.080 298 I CA 1.590 62.841 61.300 -0.081 0.000 1.339 298 I CB -1.139 36.672 38.000 -0.315 0.000 1.039 298 I HN 0.389 nan 8.210 nan 0.000 0.409 299 G N 0.422 109.161 108.800 -0.102 0.000 2.442 299 G HA2 -0.215 3.745 3.960 0.001 0.000 0.219 299 G HA3 -0.215 3.745 3.960 0.001 0.000 0.219 299 G C 1.676 176.541 174.900 -0.058 0.000 1.141 299 G CA 0.948 46.016 45.100 -0.053 0.000 0.763 299 G HN 0.527 nan 8.290 nan 0.000 0.554 300 G N 0.188 108.954 108.800 -0.057 0.000 2.394 300 G HA2 -0.081 3.879 3.960 0.001 0.000 0.215 300 G HA3 -0.081 3.879 3.960 0.001 0.000 0.215 300 G C 1.771 176.646 174.900 -0.043 0.000 1.165 300 G CA 1.053 46.122 45.100 -0.051 0.000 0.784 300 G HN 0.308 nan 8.290 nan 0.000 0.535 301 V N 1.324 121.196 119.914 -0.071 0.000 2.255 301 V HA -0.186 3.934 4.120 0.001 0.000 0.247 301 V C 2.813 178.937 176.094 0.049 0.000 1.051 301 V CA 1.717 64.028 62.300 0.018 0.000 1.018 301 V CB -0.415 31.450 31.823 0.071 0.000 0.641 301 V HN 0.390 nan 8.190 nan 0.000 0.445 302 I N -0.040 120.546 120.570 0.026 0.000 2.163 302 I HA -0.293 3.878 4.170 0.001 0.000 0.243 302 I C 2.580 178.645 176.117 -0.088 0.000 1.085 302 I CA 1.983 63.289 61.300 0.010 0.000 1.347 302 I CB -0.468 37.547 38.000 0.024 0.000 1.044 302 I HN 0.297 nan 8.210 nan 0.000 0.408 303 K N 0.601 120.890 120.400 -0.185 0.000 2.113 303 K HA -0.203 4.117 4.320 0.001 0.000 0.208 303 K C 1.757 178.026 176.600 -0.551 0.000 1.047 303 K CA 1.711 57.768 56.287 -0.384 0.000 0.928 303 K CB -0.142 32.045 32.500 -0.522 0.000 0.716 303 K HN 0.440 nan 8.250 nan 0.000 0.446 304 H N -1.130 117.789 119.070 -0.251 0.000 2.542 304 H HA 0.342 4.898 4.556 0.001 0.000 0.283 304 H C 1.418 176.670 175.328 -0.127 0.000 1.059 304 H CA 0.430 56.280 56.048 -0.330 0.000 1.162 304 H CB 0.536 29.733 29.762 -0.941 0.000 1.539 304 H HN 0.303 nan 8.280 nan 0.000 0.543 305 A N 2.014 124.835 122.820 0.001 0.000 1.896 305 A HA -0.275 4.045 4.320 0.001 0.000 0.220 305 A C 2.283 179.843 177.584 -0.040 0.000 1.206 305 A CA 1.888 53.924 52.037 -0.002 0.000 0.647 305 A CB -0.329 18.607 19.000 -0.107 0.000 0.828 305 A HN 0.299 nan 8.150 nan 0.000 0.455 306 K N -0.672 119.707 120.400 -0.035 0.000 2.209 306 K HA -0.055 4.266 4.320 0.001 0.000 0.204 306 K C 2.205 178.852 176.600 0.079 0.000 1.048 306 K CA 1.046 57.334 56.287 0.001 0.000 0.940 306 K CB -0.290 32.207 32.500 -0.005 0.000 0.729 306 K HN 0.507 nan 8.250 nan 0.000 0.451 307 A N 1.261 124.162 122.820 0.135 0.000 1.930 307 A HA -0.050 4.271 4.320 0.001 0.000 0.215 307 A C 2.055 179.770 177.584 0.217 0.000 1.176 307 A CA 0.818 52.974 52.037 0.198 0.000 0.632 307 A CB -0.371 18.837 19.000 0.345 0.000 0.819 307 A HN 0.131 nan 8.150 nan 0.000 0.445 308 I N 0.292 121.021 120.570 0.266 0.000 2.264 308 I HA -0.314 3.856 4.170 0.001 0.000 0.248 308 I C 2.134 178.415 176.117 0.273 0.000 1.111 308 I CA 1.620 63.099 61.300 0.298 0.000 1.382 308 I CB -0.600 37.632 38.000 0.388 0.000 1.060 308 I HN 0.423 nan 8.210 nan 0.000 0.418 309 N N 0.854 119.676 118.700 0.203 0.000 2.137 309 N HA -0.195 4.545 4.740 0.001 0.000 0.190 309 N C 1.895 177.572 175.510 0.279 0.000 1.017 309 N CA 1.198 54.375 53.050 0.212 0.000 0.859 309 N CB -0.217 38.366 38.487 0.160 0.000 1.002 309 N HN 0.366 nan 8.380 nan 0.000 0.428 310 A N 0.219 123.189 122.820 0.251 0.000 2.076 310 A HA -0.073 4.247 4.320 0.001 0.000 0.220 310 A C 1.882 179.676 177.584 0.350 0.000 1.160 310 A CA 1.136 53.351 52.037 0.297 0.000 0.653 310 A CB -0.270 18.886 19.000 0.259 0.000 0.801 310 A HN 0.230 nan 8.150 nan 0.000 0.455 311 L N -2.624 118.732 121.223 0.222 0.000 2.547 311 L HA 0.228 4.568 4.340 0.001 0.000 0.218 311 L C 2.607 179.587 176.870 0.184 0.000 1.048 311 L CA 0.733 55.663 54.840 0.151 0.000 0.859 311 L CB -0.109 41.950 42.059 0.001 0.000 1.128 311 L HN 0.244 nan 8.230 nan 0.000 0.483 312 A N -0.050 122.904 122.820 0.224 0.000 2.132 312 A HA 0.068 4.389 4.320 0.001 0.000 0.213 312 A C 0.403 178.109 177.584 0.204 0.000 1.154 312 A CA 0.699 52.875 52.037 0.231 0.000 0.753 312 A CB -0.320 18.893 19.000 0.356 0.000 0.826 312 A HN 0.476 nan 8.150 nan 0.000 0.469 313 N N -0.449 118.364 118.700 0.188 0.000 2.703 313 N HA 0.205 4.945 4.740 0.001 0.000 0.283 313 N C -2.580 173.019 175.510 0.149 0.000 1.851 313 N CA -0.781 52.308 53.050 0.065 0.000 0.826 313 N CB 1.599 40.004 38.487 -0.137 0.000 1.239 313 N HN 0.161 nan 8.380 nan 0.000 0.495 314 P HA 0.006 nan 4.420 nan 0.000 0.257 314 P C -0.345 177.075 177.300 0.200 0.000 1.281 314 P CA 0.490 63.740 63.100 0.251 0.000 0.826 314 P CB 0.164 32.035 31.700 0.285 0.000 1.237 315 T N -3.881 110.784 114.554 0.186 0.000 2.888 315 T HA 0.323 4.674 4.350 0.001 0.000 0.284 315 T C 1.390 176.230 174.700 0.234 0.000 1.017 315 T CA -0.111 62.084 62.100 0.159 0.000 1.022 315 T CB 1.273 70.209 68.868 0.113 0.000 1.013 315 T HN -0.072 nan 8.240 nan 0.000 0.465 316 T N -0.231 114.439 114.554 0.192 0.000 2.759 316 T HA -0.214 4.136 4.350 0.001 0.000 0.269 316 T C 1.677 176.525 174.700 0.247 0.000 1.042 316 T CA 1.522 63.760 62.100 0.230 0.000 1.140 316 T CB -0.742 68.201 68.868 0.124 0.000 0.864 316 T HN 0.748 nan 8.240 nan 0.000 0.455 317 N N 0.802 119.596 118.700 0.156 0.000 2.364 317 N HA -0.113 4.628 4.740 0.001 0.000 0.183 317 N C 1.802 177.375 175.510 0.105 0.000 1.022 317 N CA 1.156 54.282 53.050 0.126 0.000 0.883 317 N CB -0.244 38.296 38.487 0.088 0.000 0.965 317 N HN 0.446 nan 8.380 nan 0.000 0.438 318 S N -0.105 115.623 115.700 0.047 0.000 2.383 318 S HA -0.136 4.334 4.470 0.001 0.000 0.229 318 S C 1.248 175.678 174.600 -0.282 0.000 1.030 318 S CA 1.073 59.179 58.200 -0.157 0.000 1.002 318 S CB -0.345 62.635 63.200 -0.367 0.000 0.829 318 S HN 0.486 nan 8.310 nan 0.000 0.467 319 Y N 1.067 121.424 120.300 0.095 0.000 2.561 319 Y HA 0.139 4.689 4.550 0.001 0.000 0.291 319 Y C 2.039 177.995 175.900 0.092 0.000 1.141 319 Y CA 0.355 58.505 58.100 0.082 0.000 1.303 319 Y CB -0.105 38.393 38.460 0.064 0.000 1.015 319 Y HN 0.019 nan 8.280 nan 0.000 0.547 320 K N 0.272 120.784 120.400 0.187 0.000 2.283 320 K HA -0.102 4.219 4.320 0.001 0.000 0.202 320 K C 2.108 178.796 176.600 0.146 0.000 1.048 320 K CA 0.809 57.201 56.287 0.175 0.000 0.948 320 K CB -0.055 32.551 32.500 0.177 0.000 0.742 320 K HN 0.230 nan 8.250 nan 0.000 0.458 321 R N 0.192 120.755 120.500 0.105 0.000 2.066 321 R HA 0.097 4.437 4.340 0.001 0.000 0.224 321 R C 0.357 176.704 176.300 0.077 0.000 1.122 321 R CA 0.606 56.761 56.100 0.092 0.000 0.974 321 R CB 0.007 30.357 30.300 0.084 0.000 0.871 321 R HN 0.060 nan 8.270 nan 0.000 0.435 322 L N 3.758 125.011 121.223 0.050 0.000 2.511 322 L HA 0.167 4.507 4.340 0.001 0.000 0.239 322 L C -0.587 176.346 176.870 0.105 0.000 1.400 322 L CA -0.595 54.283 54.840 0.063 0.000 1.226 322 L CB 0.344 42.413 42.059 0.016 0.000 1.475 322 L HN 0.099 nan 8.230 nan 0.000 0.428 323 V N -1.796 118.176 119.914 0.097 0.000 2.715 323 V HA 0.649 4.769 4.120 0.001 0.000 0.310 323 V C -1.781 174.355 176.094 0.071 0.000 1.054 323 V CA -2.323 60.034 62.300 0.096 0.000 0.928 323 V CB 0.793 32.683 31.823 0.112 0.000 1.007 323 V HN 0.210 nan 8.190 nan 0.000 0.437 330 V N -3.321 116.624 119.914 0.050 0.000 2.878 330 V HA 0.202 4.323 4.120 0.001 0.000 0.250 330 V C 1.014 177.119 176.094 0.018 0.000 1.075 330 V CA 0.571 62.889 62.300 0.031 0.000 1.096 330 V CB -0.451 31.391 31.823 0.032 0.000 0.724 330 V HN 0.227 nan 8.190 nan 0.000 0.467 331 M N 2.315 121.933 119.600 0.030 0.000 2.292 331 M HA 0.319 4.800 4.480 0.001 0.000 0.342 331 M C -0.464 175.862 176.300 0.044 0.000 1.538 331 M CA -0.382 54.933 55.300 0.024 0.000 1.163 331 M CB 0.305 32.916 32.600 0.018 0.000 1.823 331 M HN 0.111 nan 8.290 nan 0.000 0.462 332 L N 4.564 125.806 121.223 0.032 0.000 2.505 332 L HA 0.415 4.756 4.340 0.001 0.000 0.279 332 L C 0.147 177.057 176.870 0.067 0.000 1.211 332 L CA -0.041 54.836 54.840 0.061 0.000 1.059 332 L CB -1.826 40.248 42.059 0.026 0.000 1.340 332 L HN 0.777 nan 8.230 nan 0.000 0.447 333 A N 3.492 126.366 122.820 0.088 0.000 2.547 333 A HA 0.649 4.970 4.320 0.001 0.000 0.297 333 A C -1.248 176.413 177.584 0.128 0.000 1.056 333 A CA -0.717 51.361 52.037 0.069 0.000 0.688 333 A CB 1.016 20.003 19.000 -0.022 0.000 1.282 333 A HN 0.390 nan 8.150 nan 0.000 0.400 334 Y N 0.117 120.410 120.300 -0.012 0.000 2.376 334 Y HA 0.874 5.424 4.550 0.001 0.000 0.325 334 Y C 0.246 176.150 175.900 0.007 0.000 1.199 334 Y CA -1.140 56.964 58.100 0.007 0.000 1.206 334 Y CB 1.417 39.880 38.460 0.005 0.000 1.229 334 Y HN 0.969 nan 8.280 nan 0.000 0.480 335 S N 0.506 116.315 115.700 0.182 0.000 2.558 335 S HA 0.602 5.073 4.470 0.001 0.000 0.277 335 S C -0.150 174.615 174.600 0.274 0.000 1.143 335 S CA -0.161 58.142 58.200 0.171 0.000 0.865 335 S CB 0.891 64.112 63.200 0.034 0.000 1.102 335 S HN 1.286 nan 8.310 nan 0.000 0.454 336 A N 3.091 126.116 122.820 0.341 0.000 2.030 336 A HA 0.265 4.585 4.320 0.001 0.000 0.215 336 A C 1.821 179.463 177.584 0.097 0.000 1.164 336 A CA 0.675 52.794 52.037 0.137 0.000 0.697 336 A CB -0.245 18.744 19.000 -0.017 0.000 0.827 336 A HN 0.664 nan 8.150 nan 0.000 0.457 337 R N 0.236 120.807 120.500 0.119 0.000 2.041 337 R HA 0.079 4.420 4.340 0.001 0.000 0.221 337 R C 0.705 177.030 176.300 0.042 0.000 1.196 337 R CA 0.780 56.919 56.100 0.065 0.000 0.969 337 R CB -0.909 29.427 30.300 0.060 0.000 0.858 337 R HN 0.437 nan 8.270 nan 0.000 0.444 338 N N 2.608 121.326 118.700 0.029 0.000 2.383 338 N HA -0.084 4.656 4.740 0.001 0.000 0.295 338 N C -0.812 174.711 175.510 0.022 0.000 1.281 338 N CA 0.271 53.330 53.050 0.013 0.000 1.048 338 N CB 0.165 38.647 38.487 -0.008 0.000 1.455 338 N HN 0.037 nan 8.380 nan 0.000 0.488 339 R N 2.232 122.744 120.500 0.021 0.000 2.612 339 R HA 0.070 4.411 4.340 0.001 0.000 0.273 339 R C 0.445 176.756 176.300 0.018 0.000 1.376 339 R CA 0.017 56.131 56.100 0.024 0.000 1.171 339 R CB -0.203 30.109 30.300 0.019 0.000 1.151 339 R HN 0.680 nan 8.270 nan 0.000 0.560 340 S N -0.231 115.482 115.700 0.021 0.000 1.766 340 S HA -0.006 4.464 4.470 0.001 0.000 0.211 340 S C 0.073 174.689 174.600 0.026 0.000 0.790 340 S CA 0.179 58.391 58.200 0.020 0.000 1.562 340 S CB -0.159 63.047 63.200 0.010 0.000 1.003 340 S HN 0.445 nan 8.310 nan 0.000 0.425 341 A N 2.415 125.251 122.820 0.027 0.000 2.450 341 A HA 0.622 4.943 4.320 0.001 0.000 0.255 341 A C 1.333 178.953 177.584 0.061 0.000 1.096 341 A CA 0.398 52.459 52.037 0.040 0.000 0.778 341 A CB 0.362 19.382 19.000 0.033 0.000 1.031 341 A HN 1.245 nan 8.150 nan 0.000 0.494 342 S N 2.270 118.028 115.700 0.096 0.000 2.515 342 S HA 0.052 4.522 4.470 0.001 0.000 0.231 342 S C 0.516 175.177 174.600 0.102 0.000 0.987 342 S CA 0.472 58.755 58.200 0.137 0.000 0.936 342 S CB -0.202 63.184 63.200 0.311 0.000 0.766 342 S HN 0.516 nan 8.310 nan 0.000 0.528 343 I N 2.932 123.569 120.570 0.111 0.000 2.371 343 I HA 0.404 4.575 4.170 0.001 0.000 0.282 343 I C 0.156 176.336 176.117 0.104 0.000 1.031 343 I CA -0.368 60.990 61.300 0.096 0.000 1.180 343 I CB 0.914 39.005 38.000 0.153 0.000 1.336 343 I HN 0.292 nan 8.210 nan 0.000 0.467 344 R N 6.885 127.418 120.500 0.054 0.000 2.312 344 R HA 0.487 4.827 4.340 0.001 0.000 0.311 344 R C -0.985 175.364 176.300 0.082 0.000 1.004 344 R CA -0.606 55.538 56.100 0.074 0.000 0.902 344 R CB 1.293 31.620 30.300 0.046 0.000 1.073 344 R HN 0.357 nan 8.270 nan 0.000 0.457 345 I N 6.806 127.449 120.570 0.120 0.000 2.287 345 I HA 0.282 4.453 4.170 0.001 0.000 0.290 345 I C -2.114 174.035 176.117 0.053 0.000 1.069 345 I CA -3.126 58.227 61.300 0.087 0.000 1.237 345 I CB 0.673 38.737 38.000 0.108 0.000 1.418 345 I HN 0.497 nan 8.210 nan 0.000 0.481 346 P HA 0.044 nan 4.420 nan 0.000 0.268 346 P C -0.010 177.303 177.300 0.022 0.000 1.204 346 P CA -0.186 62.958 63.100 0.074 0.000 0.768 346 P CB 0.581 32.371 31.700 0.149 0.000 0.842 347 V N 5.158 125.079 119.914 0.010 0.000 2.341 347 V HA -0.039 4.081 4.120 0.001 0.000 0.248 347 V C 1.737 177.824 176.094 -0.012 0.000 1.107 347 V CA 0.424 62.714 62.300 -0.018 0.000 1.069 347 V CB 0.250 32.063 31.823 -0.017 0.000 1.177 347 V HN 0.480 nan 8.190 nan 0.000 0.492 348 V N 5.135 125.036 119.914 -0.022 0.000 2.379 348 V HA -0.108 4.012 4.120 0.001 0.000 0.245 348 V C 2.148 178.227 176.094 -0.026 0.000 1.044 348 V CA 2.507 64.792 62.300 -0.025 0.000 1.036 348 V CB 0.103 31.904 31.823 -0.037 0.000 0.664 348 V HN 1.196 nan 8.190 nan 0.000 0.453 349 A N -1.186 121.615 122.820 -0.031 0.000 2.617 349 A HA -0.332 3.988 4.320 0.001 0.000 0.236 349 A C 1.525 179.093 177.584 -0.026 0.000 0.514 349 A CA 1.769 53.789 52.037 -0.029 0.000 1.126 349 A CB -2.231 16.756 19.000 -0.021 0.000 1.393 349 A HN 0.770 nan 8.150 nan 0.000 0.693 350 S N 0.185 115.870 115.700 -0.025 0.000 2.680 350 S HA 0.324 4.794 4.470 0.001 0.000 0.249 350 S C -0.069 174.513 174.600 -0.030 0.000 1.358 350 S CA 0.048 58.234 58.200 -0.024 0.000 0.963 350 S CB 0.103 63.289 63.200 -0.023 0.000 0.984 350 S HN 0.644 nan 8.310 nan 0.000 0.584 351 P HA 0.101 nan 4.420 nan 0.000 0.214 351 P C -0.237 177.041 177.300 -0.037 0.000 1.163 351 P CA 1.371 64.453 63.100 -0.031 0.000 0.881 351 P CB 0.092 31.776 31.700 -0.026 0.000 0.775 352 K N -2.480 117.892 120.400 -0.047 0.000 2.598 352 K HA 0.392 4.712 4.320 0.001 0.000 0.169 352 K C 0.956 177.502 176.600 -0.089 0.000 1.370 352 K CA 0.420 56.673 56.287 -0.057 0.000 1.121 352 K CB -1.003 31.467 32.500 -0.049 0.000 1.178 352 K HN 0.010 nan 8.250 nan 0.000 0.536 353 A N 1.179 123.945 122.820 -0.091 0.000 2.247 353 A HA 0.066 4.386 4.320 0.001 0.000 0.205 353 A C 0.648 178.164 177.584 -0.114 0.000 1.261 353 A CA 0.079 52.038 52.037 -0.130 0.000 0.853 353 A CB -0.592 18.346 19.000 -0.103 0.000 0.793 353 A HN 0.246 nan 8.150 nan 0.000 0.487 354 R N 1.456 121.909 120.500 -0.078 0.000 2.538 354 R HA 0.231 4.572 4.340 0.001 0.000 0.282 354 R C 0.510 176.800 176.300 -0.017 0.000 1.009 354 R CA 0.824 56.901 56.100 -0.038 0.000 1.063 354 R CB 0.048 30.338 30.300 -0.017 0.000 0.945 354 R HN 0.723 nan 8.270 nan 0.000 0.414 355 R N 3.789 124.306 120.500 0.027 0.000 2.733 355 R HA 0.423 4.763 4.340 0.001 0.000 0.272 355 R C -0.928 175.447 176.300 0.126 0.000 1.029 355 R CA -1.030 55.119 56.100 0.081 0.000 0.888 355 R CB 0.652 30.928 30.300 -0.041 0.000 1.251 355 R HN 0.539 nan 8.270 nan 0.000 0.464 356 I N -1.959 118.702 120.570 0.151 0.000 2.577 356 I HA 0.545 4.716 4.170 0.001 0.000 0.305 356 I C -0.594 175.532 176.117 0.015 0.000 0.986 356 I CA -0.689 60.650 61.300 0.065 0.000 1.189 356 I CB 1.982 40.004 38.000 0.036 0.000 1.355 356 I HN 0.703 nan 8.210 nan 0.000 0.476 357 E N 4.407 124.577 120.200 -0.050 0.000 2.145 357 E HA 0.391 4.742 4.350 0.001 0.000 0.262 357 E C -1.606 174.895 176.600 -0.165 0.000 0.883 357 E CA -0.743 55.522 56.400 -0.225 0.000 0.748 357 E CB 2.082 31.544 29.700 -0.397 0.000 1.140 357 E HN 0.623 nan 8.360 nan 0.000 0.417 358 V N 6.468 126.268 119.914 -0.189 0.000 2.372 358 V HA 0.174 4.295 4.120 0.001 0.000 0.261 358 V C 1.350 177.211 176.094 -0.387 0.000 1.055 358 V CA -0.063 62.071 62.300 -0.277 0.000 0.930 358 V CB 0.809 32.417 31.823 -0.359 0.000 1.031 358 V HN 0.718 nan 8.190 nan 0.000 0.479 359 R N 3.478 123.748 120.500 -0.383 0.000 2.236 359 R HA -0.049 4.291 4.340 0.001 0.000 0.208 359 R C 1.756 177.765 176.300 -0.486 0.000 1.036 359 R CA 0.987 56.672 56.100 -0.690 0.000 1.001 359 R CB -0.078 29.911 30.300 -0.518 0.000 0.896 359 R HN 0.866 nan 8.270 nan 0.000 0.464 360 F N 0.555 120.404 119.950 -0.168 0.000 2.615 360 F HA 0.308 4.836 4.527 0.001 0.000 0.297 360 F C -1.773 174.019 175.800 -0.014 0.000 1.124 360 F CA -1.682 56.273 58.000 -0.076 0.000 1.451 360 F CB -1.595 37.394 39.000 -0.020 0.000 1.103 360 F HN -0.218 nan 8.300 nan 0.000 0.569 361 P HA 0.206 nan 4.420 nan 0.000 0.272 361 P C -1.117 176.273 177.300 0.150 0.000 1.240 361 P CA -0.068 63.129 63.100 0.162 0.000 0.791 361 P CB 0.741 32.498 31.700 0.094 0.000 0.978 362 D N -1.616 118.870 120.400 0.143 0.000 2.581 362 D HA 0.340 4.980 4.640 0.001 0.000 0.232 362 D C -2.472 173.911 176.300 0.138 0.000 1.143 362 D CA -2.139 51.950 54.000 0.148 0.000 0.881 362 D CB 0.025 40.904 40.800 0.132 0.000 1.500 362 D HN -0.019 nan 8.370 nan 0.000 0.458 363 P HA -0.136 nan 4.420 nan 0.000 0.221 363 P C 1.026 178.388 177.300 0.104 0.000 1.141 363 P CA 1.779 64.968 63.100 0.149 0.000 0.794 363 P CB 0.042 31.966 31.700 0.374 0.000 0.764 364 A N -0.692 122.212 122.820 0.140 0.000 2.119 364 A HA 0.211 4.532 4.320 0.001 0.000 0.217 364 A C 1.307 178.942 177.584 0.084 0.000 1.153 364 A CA 0.603 52.714 52.037 0.123 0.000 0.692 364 A CB -1.102 17.978 19.000 0.133 0.000 0.799 364 A HN 0.251 nan 8.150 nan 0.000 0.458 365 A N 0.780 123.636 122.820 0.060 0.000 2.477 365 A HA 0.323 4.644 4.320 0.001 0.000 0.246 365 A C 0.443 178.006 177.584 -0.035 0.000 1.078 365 A CA -0.395 51.666 52.037 0.040 0.000 0.770 365 A CB -0.118 18.897 19.000 0.026 0.000 1.011 365 A HN 0.374 nan 8.150 nan 0.000 0.494 366 N N 3.684 122.391 118.700 0.011 0.000 2.416 366 N HA 0.057 4.798 4.740 0.001 0.000 0.271 366 N C -1.350 174.022 175.510 -0.230 0.000 1.245 366 N CA -1.756 51.282 53.050 -0.021 0.000 0.940 366 N CB 0.943 39.501 38.487 0.119 0.000 1.175 366 N HN 0.354 nan 8.380 nan 0.000 0.483 367 P HA -0.161 nan 4.420 nan 0.000 0.218 367 P C 0.687 177.331 177.300 -1.092 0.000 1.148 367 P CA 1.375 63.848 63.100 -1.045 0.000 0.822 367 P CB 0.100 31.230 31.700 -0.949 0.000 0.784 368 Y N 0.444 120.522 120.300 -0.370 0.000 2.092 368 Y HA -0.117 4.433 4.550 0.001 0.000 0.282 368 Y C 2.855 178.663 175.900 -0.154 0.000 1.126 368 Y CA 1.126 59.101 58.100 -0.208 0.000 1.111 368 Y CB -1.697 36.706 38.460 -0.097 0.000 0.987 368 Y HN -0.245 nan 8.280 nan 0.000 0.489 369 L N -1.188 120.085 121.223 0.083 0.000 2.079 369 L HA -0.264 4.077 4.340 0.001 0.000 0.210 369 L C 2.690 179.628 176.870 0.113 0.000 1.081 369 L CA 1.297 56.212 54.840 0.124 0.000 0.752 369 L CB -0.865 41.259 42.059 0.108 0.000 0.896 369 L HN 0.463 nan 8.230 nan 0.000 0.433 370 C N 0.090 119.370 119.300 -0.033 0.000 2.432 370 C HA -0.187 4.273 4.460 0.001 0.000 0.277 370 C C 2.823 177.919 174.990 0.178 0.000 1.249 370 C CA 0.440 59.471 59.018 0.022 0.000 1.725 370 C CB -0.782 26.890 27.740 -0.113 0.000 2.028 370 C HN 0.445 nan 8.230 nan 0.000 0.477 371 F N 1.996 121.894 119.950 -0.086 0.000 2.113 371 F HA 0.093 4.620 4.527 0.001 0.000 0.297 371 F C 2.692 178.482 175.800 -0.016 0.000 1.103 371 F CA 1.009 58.830 58.000 -0.298 0.000 1.248 371 F CB -1.777 36.666 39.000 -0.927 0.000 0.999 371 F HN 0.305 nan 8.300 nan 0.000 0.475 372 A N 0.464 123.417 122.820 0.221 0.000 1.873 372 A HA -0.172 4.149 4.320 0.001 0.000 0.218 372 A C 2.521 180.312 177.584 0.344 0.000 1.193 372 A CA 2.570 54.761 52.037 0.255 0.000 0.629 372 A CB -1.388 17.716 19.000 0.173 0.000 0.826 372 A HN 0.311 nan 8.150 nan 0.000 0.447 373 A N -0.838 122.191 122.820 0.347 0.000 1.908 373 A HA -0.052 4.268 4.320 0.001 0.000 0.218 373 A C 2.040 179.842 177.584 0.363 0.000 1.181 373 A CA 1.746 53.956 52.037 0.287 0.000 0.627 373 A CB -0.537 18.579 19.000 0.193 0.000 0.818 373 A HN 0.403 nan 8.150 nan 0.000 0.445 374 L N -0.455 121.002 121.223 0.389 0.000 2.042 374 L HA -0.150 4.191 4.340 0.001 0.000 0.210 374 L C 2.498 179.573 176.870 0.342 0.000 1.076 374 L CA 1.462 56.532 54.840 0.383 0.000 0.749 374 L CB -1.323 41.040 42.059 0.508 0.000 0.893 374 L HN 0.461 nan 8.230 nan 0.000 0.432 375 L N -1.140 120.363 121.223 0.467 0.000 1.988 375 L HA -0.236 4.104 4.340 0.001 0.000 0.207 375 L C 2.593 179.617 176.870 0.257 0.000 1.071 375 L CA 1.415 56.513 54.840 0.429 0.000 0.744 375 L CB -0.172 42.173 42.059 0.476 0.000 0.893 375 L HN 0.231 nan 8.230 nan 0.000 0.433 376 M N -0.173 119.585 119.600 0.264 0.000 2.143 376 M HA -0.220 4.260 4.480 0.001 0.000 0.258 376 M C 2.427 178.876 176.300 0.249 0.000 1.071 376 M CA 1.968 57.405 55.300 0.229 0.000 1.088 376 M CB -1.787 30.910 32.600 0.162 0.000 1.360 376 M HN 0.382 nan 8.290 nan 0.000 0.404 377 A N 0.230 123.176 122.820 0.210 0.000 1.873 377 A HA 0.024 4.344 4.320 0.001 0.000 0.215 377 A C 2.505 179.964 177.584 -0.208 0.000 1.186 377 A CA 1.966 53.898 52.037 -0.175 0.000 0.616 377 A CB -1.454 17.442 19.000 -0.172 0.000 0.823 377 A HN 0.509 nan 8.150 nan 0.000 0.442 378 G N -0.269 108.268 108.800 -0.439 0.000 2.422 378 G HA2 -0.144 3.817 3.960 0.001 0.000 0.218 378 G HA3 -0.144 3.817 3.960 0.001 0.000 0.218 378 G C 1.556 176.208 174.900 -0.414 0.000 1.146 378 G CA 1.020 45.465 45.100 -1.091 0.000 0.769 378 G HN 0.417 nan 8.290 nan 0.000 0.547 379 L N 0.224 121.408 121.223 -0.066 0.000 2.005 379 L HA -0.059 4.281 4.340 0.001 0.000 0.207 379 L C 2.540 179.481 176.870 0.119 0.000 1.072 379 L CA 1.660 56.590 54.840 0.150 0.000 0.744 379 L CB -0.603 41.619 42.059 0.272 0.000 0.895 379 L HN 0.228 nan 8.230 nan 0.000 0.433 380 D N -0.073 120.384 120.400 0.096 0.000 2.239 380 D HA -0.180 4.460 4.640 0.001 0.000 0.202 380 D C 2.039 178.379 176.300 0.067 0.000 0.993 380 D CA 1.332 55.389 54.000 0.095 0.000 0.874 380 D CB 0.041 40.888 40.800 0.079 0.000 0.922 380 D HN 0.304 nan 8.370 nan 0.000 0.464 381 G N 0.236 109.055 108.800 0.032 0.000 2.434 381 G HA2 -0.217 3.743 3.960 0.001 0.000 0.214 381 G HA3 -0.217 3.743 3.960 0.001 0.000 0.214 381 G C 1.700 176.636 174.900 0.059 0.000 1.202 381 G CA 0.669 45.787 45.100 0.030 0.000 0.788 381 G HN 0.334 nan 8.290 nan 0.000 0.539 382 I N 0.418 121.073 120.570 0.142 0.000 2.091 382 I HA -0.231 3.940 4.170 0.001 0.000 0.239 382 I C 2.835 178.992 176.117 0.066 0.000 1.061 382 I CA 1.512 62.926 61.300 0.191 0.000 1.317 382 I CB -0.185 37.958 38.000 0.238 0.000 1.031 382 I HN 0.099 nan 8.210 nan 0.000 0.401 383 K N 0.416 120.862 120.400 0.076 0.000 2.218 383 K HA -0.172 4.149 4.320 0.001 0.000 0.205 383 K C 0.585 177.185 176.600 0.001 0.000 1.046 383 K CA 1.182 57.501 56.287 0.053 0.000 0.933 383 K CB -0.128 32.430 32.500 0.097 0.000 0.728 383 K HN 0.453 nan 8.250 nan 0.000 0.454 384 N N 0.259 118.933 118.700 -0.042 0.000 2.365 384 N HA -0.024 4.716 4.740 0.001 0.000 0.257 384 N C -0.493 174.890 175.510 -0.212 0.000 1.287 384 N CA -0.044 52.956 53.050 -0.084 0.000 0.882 384 N CB 1.092 39.557 38.487 -0.037 0.000 1.250 384 N HN 0.019 nan 8.380 nan 0.000 0.507 385 K N 1.315 121.461 120.400 -0.423 0.000 2.975 385 K HA -0.180 4.141 4.320 0.001 0.000 0.257 385 K C -0.460 175.706 176.600 -0.724 0.000 1.005 385 K CA 0.315 55.991 56.287 -1.018 0.000 0.738 385 K CB -1.523 30.598 32.500 -0.631 0.000 1.236 385 K HN 0.420 nan 8.250 nan 0.000 0.483 386 I N 2.953 123.335 120.570 -0.312 0.000 2.725 386 I HA -0.077 4.094 4.170 0.001 0.000 0.296 386 I C 1.156 177.343 176.117 0.117 0.000 1.155 386 I CA 0.187 61.447 61.300 -0.066 0.000 1.450 386 I CB -0.302 37.672 38.000 -0.042 0.000 1.478 386 I HN 0.138 nan 8.210 nan 0.000 0.642 387 H N 9.277 128.416 119.070 0.115 0.000 2.899 387 H HA 0.109 4.666 4.556 0.001 0.000 0.303 387 H C -1.387 174.024 175.328 0.138 0.000 1.042 387 H CA -1.483 54.733 56.048 0.280 0.000 1.479 387 H CB 1.402 31.319 29.762 0.258 0.000 1.493 387 H HN 0.424 nan 8.280 nan 0.000 0.534 388 P HA -0.075 nan 4.420 nan 0.000 0.213 388 P C 0.741 178.142 177.300 0.168 0.000 1.170 388 P CA 2.042 65.090 63.100 -0.087 0.000 0.898 388 P CB 0.817 32.306 31.700 -0.352 0.000 0.787 389 G N -1.149 107.819 108.800 0.280 0.000 2.152 389 G HA2 0.013 3.973 3.960 0.001 0.000 0.058 389 G HA3 0.013 3.973 3.960 0.001 0.000 0.058 389 G C -1.436 173.618 174.900 0.257 0.000 0.966 389 G CA -0.401 44.891 45.100 0.320 0.000 1.149 389 G HN 0.269 nan 8.290 nan 0.000 0.402 390 E N 1.051 121.248 120.200 -0.004 0.000 2.314 390 E HA 0.541 4.891 4.350 0.001 0.000 0.272 390 E C -2.832 173.404 176.600 -0.607 0.000 0.884 390 E CA -1.530 54.731 56.400 -0.230 0.000 0.753 390 E CB 2.370 31.988 29.700 -0.137 0.000 1.213 390 E HN 0.201 nan 8.360 nan 0.000 0.432 391 P HA 0.143 nan 4.420 nan 0.000 0.270 391 P C -0.272 176.753 177.300 -0.458 0.000 1.242 391 P CA -0.136 62.408 63.100 -0.926 0.000 0.768 391 P CB 0.280 31.282 31.700 -1.164 0.000 0.820 392 M N 3.349 122.748 119.600 -0.336 0.000 2.268 392 M HA 0.125 4.605 4.480 0.001 0.000 0.349 392 M C 0.378 176.601 176.300 -0.129 0.000 1.485 392 M CA 0.985 56.178 55.300 -0.178 0.000 1.094 392 M CB -0.377 32.152 32.600 -0.118 0.000 1.843 392 M HN 0.361 nan 8.290 nan 0.000 0.460 408 P HA 0.325 nan 4.420 nan 0.000 0.274 408 P C -1.449 175.840 177.300 -0.017 0.000 1.231 408 P CA -0.078 63.013 63.100 -0.016 0.000 0.790 408 P CB 1.165 32.853 31.700 -0.020 0.000 0.951 409 Q N -0.112 119.673 119.800 -0.025 0.000 2.458 409 Q HA 0.450 4.790 4.340 0.001 0.000 0.282 409 Q C -0.212 175.749 176.000 -0.064 0.000 1.106 409 Q CA -1.364 54.420 55.803 -0.032 0.000 0.814 409 Q CB 2.190 30.920 28.738 -0.013 0.000 1.425 409 Q HN 0.402 nan 8.270 nan 0.000 0.437 410 V N -0.714 119.138 119.914 -0.103 0.000 3.332 410 V HA 0.289 4.409 4.120 0.001 0.000 0.305 410 V C 0.370 176.436 176.094 -0.046 0.000 1.114 410 V CA -0.556 61.644 62.300 -0.168 0.000 1.194 410 V CB -0.278 31.387 31.823 -0.264 0.000 1.027 410 V HN 0.855 nan 8.190 nan 0.000 0.492 411 A N 2.611 125.426 122.820 -0.009 0.000 2.567 411 A HA 0.436 4.756 4.320 0.001 0.000 0.240 411 A C 1.469 179.098 177.584 0.074 0.000 1.053 411 A CA 0.343 52.395 52.037 0.025 0.000 0.755 411 A CB -0.272 18.747 19.000 0.031 0.000 0.978 411 A HN 1.798 nan 8.150 nan 0.000 0.507 412 G N 1.060 109.851 108.800 -0.015 0.000 2.920 412 G HA2 0.365 4.325 3.960 0.001 0.000 0.208 412 G HA3 0.365 4.325 3.960 0.001 0.000 0.208 412 G C 0.462 175.283 174.900 -0.132 0.000 1.159 412 G CA 0.899 46.008 45.100 0.015 0.000 0.784 412 G HN 1.708 nan 8.290 nan 0.000 0.535 413 S N -1.879 113.503 115.700 -0.530 0.000 2.578 413 S HA 0.284 4.755 4.470 0.001 0.000 0.272 413 S C 0.262 174.152 174.600 -1.183 0.000 1.145 413 S CA -0.607 57.075 58.200 -0.864 0.000 0.835 413 S CB 1.025 64.025 63.200 -0.333 0.000 1.104 413 S HN 0.086 nan 8.310 nan 0.000 0.458 414 L N 1.540 122.177 121.223 -0.976 0.000 2.079 414 L HA 0.063 4.404 4.340 0.001 0.000 0.210 414 L C 2.445 179.199 176.870 -0.192 0.000 1.081 414 L CA 2.478 57.089 54.840 -0.381 0.000 0.752 414 L CB -0.799 41.251 42.059 -0.014 0.000 0.896 414 L HN 1.004 nan 8.230 nan 0.000 0.433 415 E N -0.695 119.401 120.200 -0.173 0.000 2.077 415 E HA -0.292 4.058 4.350 0.001 0.000 0.193 415 E C 2.071 178.619 176.600 -0.087 0.000 0.989 415 E CA 1.375 57.719 56.400 -0.094 0.000 0.800 415 E CB -0.077 29.577 29.700 -0.076 0.000 0.746 415 E HN 0.700 nan 8.360 nan 0.000 0.452 416 E N -0.008 120.111 120.200 -0.134 0.000 2.031 416 E HA -0.213 4.137 4.350 0.001 0.000 0.193 416 E C 2.002 178.566 176.600 -0.060 0.000 0.994 416 E CA 1.097 57.439 56.400 -0.097 0.000 0.800 416 E CB -0.187 29.440 29.700 -0.122 0.000 0.752 416 E HN 0.305 nan 8.360 nan 0.000 0.447 417 A N 1.174 123.945 122.820 -0.080 0.000 1.917 417 A HA -0.206 4.115 4.320 0.001 0.000 0.219 417 A C 2.241 179.863 177.584 0.063 0.000 1.182 417 A CA 1.505 53.558 52.037 0.027 0.000 0.633 417 A CB -0.787 18.279 19.000 0.110 0.000 0.819 417 A HN 0.336 nan 8.150 nan 0.000 0.448 418 L N -0.532 120.719 121.223 0.047 0.000 2.056 418 L HA -0.194 4.147 4.340 0.001 0.000 0.207 418 L C 2.368 179.267 176.870 0.047 0.000 1.078 418 L CA 1.237 56.118 54.840 0.069 0.000 0.749 418 L CB -0.752 41.333 42.059 0.043 0.000 0.901 418 L HN 0.387 nan 8.230 nan 0.000 0.433 419 N N 0.581 119.293 118.700 0.020 0.000 2.069 419 N HA -0.182 4.559 4.740 0.001 0.000 0.191 419 N C 1.893 177.420 175.510 0.029 0.000 1.031 419 N CA 1.660 54.720 53.050 0.017 0.000 0.852 419 N CB -0.369 38.119 38.487 0.002 0.000 1.018 419 N HN 0.319 nan 8.380 nan 0.000 0.423 420 A N 1.254 124.093 122.820 0.032 0.000 1.883 420 A HA -0.121 4.199 4.320 0.001 0.000 0.217 420 A C 2.295 179.925 177.584 0.076 0.000 1.186 420 A CA 1.186 53.253 52.037 0.050 0.000 0.624 420 A CB -0.840 18.188 19.000 0.047 0.000 0.822 420 A HN 0.256 nan 8.150 nan 0.000 0.444 421 L N 0.443 121.713 121.223 0.079 0.000 2.017 421 L HA -0.189 4.151 4.340 0.001 0.000 0.208 421 L C 2.029 178.916 176.870 0.028 0.000 1.073 421 L CA 2.915 57.791 54.840 0.060 0.000 0.745 421 L CB -0.732 41.361 42.059 0.056 0.000 0.894 421 L HN 0.539 nan 8.230 nan 0.000 0.432 422 D N -1.087 119.334 120.400 0.036 0.000 2.158 422 D HA -0.236 4.404 4.640 0.001 0.000 0.197 422 D C 2.013 178.326 176.300 0.022 0.000 0.995 422 D CA 1.829 55.843 54.000 0.024 0.000 0.846 422 D CB -0.081 40.737 40.800 0.030 0.000 0.941 422 D HN 0.476 nan 8.370 nan 0.000 0.456 423 L N -0.773 120.472 121.223 0.036 0.000 2.298 423 L HA 0.095 4.435 4.340 0.001 0.000 0.209 423 L C 1.270 178.180 176.870 0.067 0.000 1.084 423 L CA 0.520 55.385 54.840 0.041 0.000 0.816 423 L CB -0.011 42.070 42.059 0.037 0.000 0.967 423 L HN -0.023 nan 8.230 nan 0.000 0.460 424 D N 0.227 120.692 120.400 0.107 0.000 2.561 424 D HA -0.019 4.621 4.640 0.001 0.000 0.232 424 D C 1.778 178.203 176.300 0.208 0.000 1.198 424 D CA 0.014 54.139 54.000 0.209 0.000 0.826 424 D CB 0.132 41.100 40.800 0.279 0.000 0.992 424 D HN -0.018 nan 8.370 nan 0.000 0.490 425 R N 0.057 120.580 120.500 0.038 0.000 2.159 425 R HA -0.166 4.175 4.340 0.001 0.000 0.237 425 R C 1.395 177.599 176.300 -0.160 0.000 1.131 425 R CA 1.045 57.079 56.100 -0.110 0.000 0.982 425 R CB 0.269 30.529 30.300 -0.068 0.000 0.868 425 R HN 0.022 nan 8.270 nan 0.000 0.453 426 E N 0.264 120.454 120.200 -0.016 0.000 2.058 426 E HA -0.209 4.142 4.350 0.001 0.000 0.194 426 E C 1.606 178.176 176.600 -0.050 0.000 0.997 426 E CA 1.823 58.218 56.400 -0.008 0.000 0.801 426 E CB -0.452 29.292 29.700 0.074 0.000 0.746 426 E HN 0.511 nan 8.360 nan 0.000 0.450 427 F N -0.647 119.216 119.950 -0.146 0.000 2.269 427 F HA -0.080 4.447 4.527 0.001 0.000 0.301 427 F C 1.544 177.210 175.800 -0.223 0.000 1.082 427 F CA 0.603 58.468 58.000 -0.226 0.000 1.360 427 F CB -0.492 38.209 39.000 -0.500 0.000 1.041 427 F HN -0.018 nan 8.300 nan 0.000 0.512 428 L N 1.119 121.679 121.223 -1.105 0.000 2.109 428 L HA -0.043 4.298 4.340 0.001 0.000 0.207 428 L C 2.193 178.873 176.870 -0.316 0.000 1.086 428 L CA 1.445 55.778 54.840 -0.845 0.000 0.760 428 L CB -1.451 39.886 42.059 -1.204 0.000 0.910 428 L HN 0.258 nan 8.230 nan 0.000 0.437 429 K N 0.071 120.321 120.400 -0.251 0.000 2.439 429 K HA 0.097 4.417 4.320 0.001 0.000 0.197 429 K C 0.958 177.481 176.600 -0.129 0.000 1.041 429 K CA 0.268 56.482 56.287 -0.121 0.000 0.970 429 K CB -0.143 32.303 32.500 -0.091 0.000 0.773 429 K HN 0.218 nan 8.250 nan 0.000 0.479 430 A N 1.402 124.107 122.820 -0.192 0.000 2.573 430 A HA 0.253 4.574 4.320 0.001 0.000 0.250 430 A C 1.306 178.629 177.584 -0.434 0.000 1.049 430 A CA 0.823 52.709 52.037 -0.252 0.000 0.767 430 A CB -0.822 17.982 19.000 -0.327 0.000 0.965 430 A HN 0.557 nan 8.150 nan 0.000 0.514 431 G N 1.530 110.284 108.800 -0.078 0.000 2.168 431 G HA2 0.105 4.066 3.960 0.001 0.000 0.257 431 G HA3 0.105 4.066 3.960 0.001 0.000 0.257 431 G C 1.684 176.596 174.900 0.021 0.000 0.997 431 G CA 1.109 46.278 45.100 0.116 0.000 0.708 431 G HN 2.855 nan 8.290 nan 0.000 0.520 432 G N -2.695 106.081 108.800 -0.039 0.000 2.179 432 G HA2 -0.088 3.872 3.960 0.001 0.000 0.260 432 G HA3 -0.088 3.872 3.960 0.001 0.000 0.260 432 G C 0.588 175.447 174.900 -0.068 0.000 0.977 432 G CA 0.523 45.601 45.100 -0.037 0.000 0.641 432 G HN 1.709 nan 8.290 nan 0.000 0.533 433 V N 1.520 121.375 119.914 -0.099 0.000 2.458 433 V HA 0.437 4.558 4.120 0.001 0.000 0.287 433 V C 0.891 176.959 176.094 -0.043 0.000 1.009 433 V CA 0.957 63.179 62.300 -0.130 0.000 1.091 433 V CB -1.055 30.694 31.823 -0.124 0.000 0.960 433 V HN 0.811 nan 8.190 nan 0.000 0.476 434 F N 2.944 122.805 119.950 -0.147 0.000 2.130 434 F HA -0.159 4.368 4.527 0.001 0.000 0.464 434 F C 0.770 176.482 175.800 -0.146 0.000 1.225 434 F CA 0.758 58.663 58.000 -0.159 0.000 1.505 434 F CB -1.305 37.574 39.000 -0.202 0.000 2.379 434 F HN 0.776 nan 8.300 nan 0.000 0.732 435 T N -1.224 113.351 114.554 0.035 0.000 2.847 435 T HA 0.284 4.635 4.350 0.001 0.000 0.279 435 T C 1.143 175.849 174.700 0.010 0.000 0.984 435 T CA -0.265 61.833 62.100 -0.004 0.000 0.988 435 T CB 1.477 70.314 68.868 -0.052 0.000 1.040 435 T HN 0.480 nan 8.240 nan 0.000 0.528 436 D N 0.809 121.203 120.400 -0.010 0.000 2.123 436 D HA -0.120 4.520 4.640 0.001 0.000 0.196 436 D C 1.907 178.211 176.300 0.006 0.000 0.992 436 D CA 1.607 55.603 54.000 -0.007 0.000 0.833 436 D CB -0.034 40.760 40.800 -0.009 0.000 0.954 436 D HN 0.726 nan 8.370 nan 0.000 0.455 437 E N 1.167 121.363 120.200 -0.007 0.000 2.085 437 E HA -0.125 4.225 4.350 0.001 0.000 0.194 437 E C 2.072 178.684 176.600 0.019 0.000 0.994 437 E CA 1.151 57.549 56.400 -0.003 0.000 0.801 437 E CB -0.341 29.338 29.700 -0.036 0.000 0.743 437 E HN 0.245 nan 8.360 nan 0.000 0.453 438 A N 0.903 123.727 122.820 0.007 0.000 1.865 438 A HA -0.187 4.133 4.320 0.001 0.000 0.217 438 A C 2.308 179.980 177.584 0.147 0.000 1.191 438 A CA 1.465 53.536 52.037 0.057 0.000 0.623 438 A CB -0.747 18.279 19.000 0.043 0.000 0.826 438 A HN 0.197 nan 8.150 nan 0.000 0.444 439 I N -0.201 120.437 120.570 0.114 0.000 2.179 439 I HA -0.234 3.936 4.170 0.001 0.000 0.242 439 I C 1.914 178.108 176.117 0.127 0.000 1.088 439 I CA 1.528 62.879 61.300 0.086 0.000 1.357 439 I CB -0.569 37.411 38.000 -0.033 0.000 1.051 439 I HN 0.283 nan 8.210 nan 0.000 0.409 440 D N 1.196 121.647 120.400 0.086 0.000 2.123 440 D HA -0.170 4.471 4.640 0.001 0.000 0.196 440 D C 2.226 178.590 176.300 0.105 0.000 0.992 440 D CA 1.665 55.714 54.000 0.081 0.000 0.833 440 D CB -0.152 40.678 40.800 0.051 0.000 0.954 440 D HN 0.361 nan 8.370 nan 0.000 0.455 441 A N -0.012 122.883 122.820 0.126 0.000 1.930 441 A HA -0.195 4.125 4.320 0.001 0.000 0.217 441 A C 2.157 179.842 177.584 0.168 0.000 1.175 441 A CA 1.051 53.172 52.037 0.140 0.000 0.627 441 A CB -0.898 18.200 19.000 0.164 0.000 0.815 441 A HN 0.300 nan 8.150 nan 0.000 0.443 442 Y N 0.565 120.925 120.300 0.100 0.000 2.089 442 Y HA -0.212 4.339 4.550 0.001 0.000 0.282 442 Y C 2.044 177.990 175.900 0.077 0.000 1.139 442 Y CA 1.963 60.126 58.100 0.105 0.000 1.123 442 Y CB -0.323 38.206 38.460 0.115 0.000 0.980 442 Y HN 0.259 nan 8.280 nan 0.000 0.493 443 I N 0.115 120.776 120.570 0.151 0.000 2.208 443 I HA -0.383 3.787 4.170 0.001 0.000 0.245 443 I C 2.676 178.776 176.117 -0.029 0.000 1.097 443 I CA 1.256 62.581 61.300 0.041 0.000 1.363 443 I CB -0.834 37.225 38.000 0.098 0.000 1.051 443 I HN 0.372 nan 8.210 nan 0.000 0.413 444 A N 1.069 123.892 122.820 0.005 0.000 1.892 444 A HA -0.212 4.108 4.320 0.001 0.000 0.218 444 A C 2.312 179.876 177.584 -0.035 0.000 1.188 444 A CA 1.650 53.686 52.037 -0.002 0.000 0.631 444 A CB -0.909 18.108 19.000 0.028 0.000 0.822 444 A HN 0.388 nan 8.150 nan 0.000 0.447 445 L N -1.775 119.407 121.223 -0.068 0.000 1.976 445 L HA -0.189 4.151 4.340 0.001 0.000 0.209 445 L C 2.827 179.618 176.870 -0.132 0.000 1.071 445 L CA 1.707 56.491 54.840 -0.094 0.000 0.746 445 L CB -0.502 41.485 42.059 -0.120 0.000 0.890 445 L HN 0.228 nan 8.230 nan 0.000 0.432 446 R N -0.171 120.186 120.500 -0.240 0.000 2.159 446 R HA -0.137 4.204 4.340 0.001 0.000 0.237 446 R C 2.282 178.534 176.300 -0.079 0.000 1.131 446 R CA 1.145 57.136 56.100 -0.182 0.000 0.982 446 R CB -0.447 29.691 30.300 -0.270 0.000 0.868 446 R HN 0.204 nan 8.270 nan 0.000 0.453 447 R N -0.184 120.278 120.500 -0.063 0.000 2.073 447 R HA -0.074 4.266 4.340 0.001 0.000 0.229 447 R C 1.985 178.273 176.300 -0.020 0.000 1.120 447 R CA 1.482 57.564 56.100 -0.029 0.000 0.967 447 R CB -0.099 30.189 30.300 -0.019 0.000 0.862 447 R HN 0.273 nan 8.270 nan 0.000 0.436 448 E N 0.364 120.551 120.200 -0.022 0.000 2.118 448 E HA -0.243 4.107 4.350 0.001 0.000 0.195 448 E C 1.487 178.082 176.600 -0.009 0.000 0.992 448 E CA 1.593 57.986 56.400 -0.012 0.000 0.804 448 E CB 0.169 29.862 29.700 -0.012 0.000 0.741 448 E HN 0.403 nan 8.360 nan 0.000 0.458 449 E N 0.102 120.293 120.200 -0.015 0.000 2.046 449 E HA -0.191 4.159 4.350 0.001 0.000 0.190 449 E C 1.877 178.479 176.600 0.003 0.000 0.982 449 E CA 1.223 57.619 56.400 -0.006 0.000 0.800 449 E CB -0.116 29.579 29.700 -0.008 0.000 0.756 449 E HN 0.253 nan 8.360 nan 0.000 0.449 450 D N 0.893 121.294 120.400 0.001 0.000 2.123 450 D HA -0.195 4.445 4.640 0.001 0.000 0.196 450 D C 1.519 177.823 176.300 0.006 0.000 0.992 450 D CA 1.449 55.453 54.000 0.006 0.000 0.833 450 D CB 0.016 40.814 40.800 -0.004 0.000 0.954 450 D HN -0.005 nan 8.370 nan 0.000 0.455 451 D N -0.543 119.858 120.400 0.002 0.000 2.104 451 D HA -0.165 4.476 4.640 0.001 0.000 0.194 451 D C 2.055 178.361 176.300 0.011 0.000 0.994 451 D CA 0.760 54.763 54.000 0.005 0.000 0.830 451 D CB -0.301 40.501 40.800 0.003 0.000 0.959 451 D HN 0.219 nan 8.370 nan 0.000 0.452 452 R N 0.493 120.999 120.500 0.010 0.000 2.081 452 R HA -0.108 4.233 4.340 0.001 0.000 0.235 452 R C 2.079 178.389 176.300 0.016 0.000 1.131 452 R CA 1.060 57.168 56.100 0.012 0.000 0.960 452 R CB -0.239 30.066 30.300 0.008 0.000 0.856 452 R HN 0.023 nan 8.270 nan 0.000 0.436 453 V N 0.680 120.604 119.914 0.016 0.000 2.427 453 V HA -0.189 3.931 4.120 0.001 0.000 0.248 453 V C 2.493 178.610 176.094 0.038 0.000 1.051 453 V CA 2.065 64.380 62.300 0.025 0.000 1.048 453 V CB -0.611 31.230 31.823 0.031 0.000 0.666 453 V HN 0.377 nan 8.190 nan 0.000 0.456 454 R N -0.413 120.105 120.500 0.030 0.000 2.090 454 R HA -0.029 4.311 4.340 0.001 0.000 0.228 454 R C 2.150 178.469 176.300 0.032 0.000 1.110 454 R CA 1.390 57.507 56.100 0.030 0.000 0.973 454 R CB -0.101 30.208 30.300 0.015 0.000 0.869 454 R HN 0.445 nan 8.270 nan 0.000 0.440 455 M N -0.634 118.983 119.600 0.028 0.000 2.541 455 M HA 0.065 4.546 4.480 0.001 0.000 0.252 455 M C 0.090 176.416 176.300 0.043 0.000 1.125 455 M CA 0.487 55.805 55.300 0.030 0.000 1.091 455 M CB 0.713 33.326 32.600 0.023 0.000 1.420 455 M HN -0.136 nan 8.290 nan 0.000 0.486 456 T N 4.024 118.608 114.554 0.049 0.000 2.728 456 T HA 0.275 4.626 4.350 0.001 0.000 0.296 456 T C -2.149 172.608 174.700 0.094 0.000 0.940 456 T CA -1.078 61.059 62.100 0.062 0.000 1.013 456 T CB 0.637 69.530 68.868 0.042 0.000 0.912 456 T HN 0.125 nan 8.240 nan 0.000 0.484 457 P HA 0.039 nan 4.420 nan 0.000 0.265 457 P C -0.548 176.898 177.300 0.243 0.000 1.193 457 P CA -0.115 63.100 63.100 0.192 0.000 0.765 457 P CB 0.427 32.271 31.700 0.241 0.000 0.823 458 H N 4.558 123.717 119.070 0.149 0.000 2.548 458 H HA 0.155 4.711 4.556 0.001 0.000 0.331 458 H C -1.112 174.343 175.328 0.212 0.000 1.093 458 H CA -1.754 54.372 56.048 0.129 0.000 1.367 458 H CB 1.137 30.939 29.762 0.067 0.000 1.455 458 H HN 0.239 nan 8.280 nan 0.000 0.519 459 P HA -0.259 nan 4.420 nan 0.000 0.216 459 P C 1.538 179.049 177.300 0.353 0.000 1.157 459 P CA 1.971 65.273 63.100 0.336 0.000 0.880 459 P CB -0.150 31.624 31.700 0.123 0.000 0.791 460 V N -1.920 118.176 119.914 0.303 0.000 2.913 460 V HA -0.162 3.959 4.120 0.001 0.000 0.260 460 V C 2.023 178.074 176.094 -0.071 0.000 1.098 460 V CA 1.503 63.802 62.300 -0.000 0.000 1.121 460 V CB -1.536 30.161 31.823 -0.211 0.000 0.714 460 V HN 0.070 nan 8.190 nan 0.000 0.487 461 E N 0.167 120.376 120.200 0.014 0.000 2.106 461 E HA -0.117 4.233 4.350 0.001 0.000 0.192 461 E C 1.899 178.434 176.600 -0.108 0.000 0.984 461 E CA 1.614 57.977 56.400 -0.062 0.000 0.806 461 E CB -0.292 29.446 29.700 0.063 0.000 0.750 461 E HN 0.709 nan 8.360 nan 0.000 0.458 462 F N 1.377 121.367 119.950 0.066 0.000 2.234 462 F HA -0.131 4.396 4.527 0.001 0.000 0.299 462 F C 2.397 178.216 175.800 0.032 0.000 1.087 462 F CA 1.126 59.182 58.000 0.094 0.000 1.340 462 F CB -0.097 38.927 39.000 0.040 0.000 1.031 462 F HN 0.013 nan 8.300 nan 0.000 0.500 463 E N -0.004 120.264 120.200 0.114 0.000 2.110 463 E HA -0.197 4.153 4.350 0.001 0.000 0.193 463 E C 2.023 178.565 176.600 -0.096 0.000 0.988 463 E CA 0.913 57.316 56.400 0.004 0.000 0.804 463 E CB -0.029 29.650 29.700 -0.035 0.000 0.745 463 E HN 0.202 nan 8.360 nan 0.000 0.458 464 L N -0.556 120.497 121.223 -0.282 0.000 2.162 464 L HA -0.067 4.273 4.340 0.001 0.000 0.205 464 L C 1.149 177.727 176.870 -0.488 0.000 1.086 464 L CA 1.484 55.983 54.840 -0.567 0.000 0.778 464 L CB -0.181 41.203 42.059 -1.125 0.000 0.928 464 L HN 0.250 nan 8.230 nan 0.000 0.446 465 Y N -4.431 115.855 120.300 -0.025 0.000 2.527 465 Y HA 0.120 4.670 4.550 0.001 0.000 0.247 465 Y C 1.766 177.645 175.900 -0.035 0.000 1.138 465 Y CA -1.192 56.874 58.100 -0.056 0.000 1.228 465 Y CB -0.829 37.560 38.460 -0.119 0.000 1.252 465 Y HN 0.023 nan 8.280 nan 0.000 0.531 466 Y N 0.793 121.118 120.300 0.041 0.000 2.181 466 Y HA -0.167 4.383 4.550 0.001 0.000 0.288 466 Y C 1.952 177.888 175.900 0.059 0.000 1.146 466 Y CA 1.816 59.953 58.100 0.062 0.000 1.164 466 Y CB -0.064 38.484 38.460 0.148 0.000 0.982 466 Y HN -0.086 nan 8.280 nan 0.000 0.515 467 S N -0.130 115.629 115.700 0.097 0.000 2.803 467 S HA 0.108 4.579 4.470 0.001 0.000 0.228 467 S C 0.489 175.077 174.600 -0.019 0.000 0.953 467 S CA -0.151 58.056 58.200 0.011 0.000 0.983 467 S CB -0.799 62.455 63.200 0.090 0.000 0.784 467 S HN 0.144 nan 8.310 nan 0.000 0.498 468 V N 0.000 119.896 119.914 -0.030 0.000 2.409 468 V HA 0.000 4.120 4.120 0.001 0.000 0.244 468 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 468 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556